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cwieder

add static conv table

May 30, 2023

6d045e4 · May 30, 2023

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1		Query	Match	HMDB	PubChem	ChEBI	KEGG	METLIN	SMILES	Comment
2	0	S-1-pyrroline-5-carboxylate	NA	NA	NA	NA	NA	NA	NA	0
3	1	spermidine	Spermidine	HMDB0001257	1102	16610	C00315	254	NCCCCNCCCN	1
4	2	1-methylnicotinamide	1-Methylnicotinamide	HMDB0000699	457	16797	C02918	5667	C[N+]1=CC=CC(=C1)C(N)=O	1
5	3	12,13-DiHOME	12,13-DHOME	HMDB0004705	10236635	72665	C14829		CCCCCC(C(C/C=C\CCCCCCCC(=O)O)O)O	1
6	4	alpha-ketoglutarate	Oxoglutaric acid	HMDB0000208	51	30915	C00026	5218	OC(=O)CCC(=O)C(O)=O	1
7	5	kynurenate	Kynurenic acid	HMDB0000715	3845	18344	C01717	5683	OC(=O)C1=CC(=O)C2=CC=CC=C2N1	1
8	6	3-hydroxyisobutyrate	(S)-3-Hydroxyisobutyric acid	HMDB0000023	440873	37373	C06001	483	C[C@@H](CO)C(O)=O	1
9	7	3-hydroxy-3-methylglutarate	3-Hydroxymethylglutaric acid	HMDB0000355	1662	16831	C03761	5344	CC(CC(=O)O)(CC(=O)O)O	1
10	8	homovanillate (HVA)	NA	NA	NA	NA	NA	NA	NA	0
11	9	3-phosphoglycerate	3-Phosphoglyceric acid	HMDB0000807	724	17050	C00597	150	OC(COP(O)(O)=O)C(O)=O	1
12	10	cholate	Cholic acid	HMDB0000619	221493	16359	C00695	206	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C	1
13	11	4-hydroxyphenylacetate	p-Hydroxyphenylacetic acid	HMDB0000020	127	18101	C00642	130	OC(=O)CC1=CC=C(O)C=C1	1
14	12	5,6-dihydrothymine	Dihydrothymine	HMDB0000079	93556	27468	C00906	5135	CC1CNC(=O)NC1=O	1
15	13	hypoxanthine	Hypoxanthine	HMDB0000157	790	17368	C00262	83	OC1=NC=NC2=C1NC=N2	1
16	14	9,10-DiHOME	9,10-DHOME	HMDB0004704	9966640	72663	C14828		CCCCC/C=C\CC(C(CCCCCCCC(=O)O)O)O	1
17	15	linoleate (18:2n6)	NA	NA	NA	NA	NA	NA	NA	0
18	16	laurate (12:0)	NA	NA	NA	NA	NA	NA	NA	0
19	17	quinolinate	Quinolinic acid	HMDB0000232	1066	16675	C03722	330	OC(=O)C1=CC=CN=C1C(O)=O	1
20	18	N6,N6,N6-trimethyllysine	NA	NA	NA	NA	NA	NA	NA	0
21	19	N-acetylputrescine	N-Acetylputrescine	HMDB0002064	122356	17768	C02714	3252	CC(=O)NCCCCN	1
22	20	N-formylmethionine	NA	NA	NA	NA	NA	NA	NA	0
23	21	S-adenosylhomocysteine (SAH)	NA	NA	NA	NA	NA	NA	NA	0
24	22	adenosine 3',5'-cyclic monophosphate (cAMP)	NA	NA	NA	NA	NA	NA	NA	0
25	23	adenosine 5'-monophosphate (AMP)	NA	NA	NA	NA	NA	NA	NA	0
26	24	5-methylthioadenosine (MTA)	NA	NA	NA	NA	NA	NA	NA	0
27	25	arachidonate (20:4n6)	NA	NA	NA	NA	NA	NA	NA	0
28	26	arginine	L-Arginine	HMDB0000517	6322	16467	C00062	5502	N[C@@H](CCCNC(N)=N)C(O)=O	1
29	27	aspartate	L-Aspartic acid	HMDB0000191	5960	17053	C00049	5206	N[C@@H](CC(O)=O)C(O)=O	1
30	28	2-hydroxyphenylacetate	Ortho-Hydroxyphenylacetic acid	HMDB0000669	11970	28478	C05852	5639	OC(=O)CC1=C(O)C=CC=C1	1
31	29	3-(4-hydroxyphenyl)lactate	Hydroxyphenyllactic acid	HMDB0000755	9378	17385	C03672	5723	OC(CC1=CC=C(O)C=C1)C(O)=O	1
32	30	phenylpyruvate	Phenylpyruvic acid	HMDB0000205	997	30851	C00166	328	OC(=O)C(=O)CC1=CC=CC=C1	1
33	31	beta-alanine	beta-Alanine	HMDB0000056	239	16958	C00099	5119	NCCC(O)=O	1
34	32	biliverdin	Biliverdin	HMDB0001008	5353439	17033	C00500	5938	CC1=C(C=C)\C(NC1=O)=C\C1=C(C)C(CCC(O)=O)=C(N1)\C=C1/N=C(/C=C2\NC(=O)C(C=C)=C2C)C(C)=C1CCC(O)=O	1
35	33	succinate	Succinic acid	HMDB0000254	1110	15741	C00042	114	O=C(O)CCC(=O)O	1
36	34	3-hydroxybutyrate (BHBA)	NA	NA	NA	NA	NA	NA	NA	0
37	35	cholesterol	Cholesterol	HMDB0000067	5997	1307929	C00187	163	C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CCC(C4)O)C)C	1
38	36	choline phosphate	Phosphorylcholine	HMDB0001565	1014	18132	C00588	6326	C[N+](C)(C)CCOP(O)(O)=O	1
39	37	corticosterone	Corticosterone	HMDB0001547	5753	16827	C02140	6314	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(=O)CO)C)O	1
40	38	cortisone	Cortisone	HMDB0002802	225609	16962	C00762	271	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C	1
41	39	creatinine	Creatinine	HMDB0000562	588	16737	C00791	8	CN1CC(=O)NC1=N	1
42	40	cysteinylglycine	Cysteinylglycine	HMDB0000078	439498	4047	C01419	5134	N[C@@H](CS)C(=O)NCC(O)=O	1
43	41	cystine	L-Cystine	HMDB0000192	67678	16283	C00491	5207	N[C@@H](CSSC[C@H](N)C(O)=O)C(O)=O	1
44	42	sphingosine	Sphingosine	HMDB0000252	5353955	16393	C00319	392	CCCCCCCCCCCCC/C=C/C(C(CO)N)O	1
45	43	deoxycholate	Deoxycholic acid	HMDB0000626	222528	28834	C04483	265	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	1
46	44	cystathionine	L-Cystathionine	HMDB0000099	439258	17482	C02291	39	N[C@@H](CCSC[C@H](N)C(O)=O)C(O)=O	1
47	45	sphinganine	Sphinganine	HMDB0000269	91486	16566	C00836	5268	CCCCCCCCCCCCCCC[C@H]([C@H](CO)N)O	1
48	46	flavin adenine dinucleotide (FAD)	NA	NA	NA	NA	NA	NA	NA	0
49	47	fumarate	Fumaric acid	HMDB0000134	444972	18012	C00122	3242	OC(=O)\C=C\C(O)=O	1
50	48	gamma-glutamylglutamate	gamma-Glutamylglutamic acid	HMDB0011737	92865	73705	C05282		C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C(=O)O)N	1
51	49	gluconate	Gluconic acid	HMDB0000625	10690	33198	C00257	345	OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O	1
52	50	glutarate (C5-DC)	NA	NA	NA	NA	NA	NA	NA	0
53	51	glycine	Glycine	HMDB0000123	750	15428	C00037	20	NCC(O)=O	1
54	52	glycocholate	Glycocholic acid	HMDB0000138	23617285	29746	C01921	5169	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4[C@@]3(CC[C@H](C4)O)C)O)O)C	1
55	53	guanidinoacetate	Guanidoacetic acid	HMDB0000128	763	16344	C00581	5163	NC(=N)NCC(O)=O	1
56	54	histidine	L-Histidine	HMDB0000177	6274	15971	C00135	21	N[C@@H](CC1=CN=CN1)C(O)=O	1
57	55	cortisol	Cortisol	HMDB0000063	657311		C00735	5124	C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@]4(C(=O)CO)O)C)O	1
58	56	hypotaurine	Hypotaurine	HMDB0000965	107812	16668	C00519	281	NCCS(O)=O	1
59	57	inosine	Inosine	HMDB0000195	6021	17596	C00294	84	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=NC2=C(O)N=CN=C12	1
60	58	myo-inositol	myo-Inositol	HMDB0000211		17268	C00137	5221	O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O	1
61	59	isoleucine	L-Isoleucine	HMDB0000172	6306	17191	C00407	5193	CC[C@H](C)[C@@H](C(=O)O)N	1
62	60	2-aminoadipate	Aminoadipic acid	HMDB0000510	469	37024	C00956	5496	NC(CCCC(=O)O)C(=O)O	1
63	61	citrulline	Citrulline	HMDB0000904	9750	16349	C00327	16	N[C@@H](CCCNC(N)=O)C(O)=O	1
64	62	leucine	L-Leucine	HMDB0000687	6106	15603	C00123	24	CC(C)C[C@H](N)C(O)=O	1
65	63	lysine	L-Lysine	HMDB0000182	5962	18019	C00047	5200	NCCCC[C@H](N)C(O)=O	1
66	64	malate	L-Malic acid	HMDB0000156	222656	30797	C00149		O[C@@H](CC(O)=O)C(O)=O	1
67	65	methionine	L-Methionine	HMDB0000696	6137	16643	C00073	5664	CSCC[C@H](N)C(O)=O	1
68	66	palmitate (16:0)	NA	NA	NA	NA	NA	NA	NA	0
69	67	nicotinamide	Niacinamide	HMDB0001406	936	17154	C00153	1497	NC(=O)C1=CC=CN=C1	1
70	68	stearate (18:0)	NA	NA	NA	NA	NA	NA	NA	0
71	69	ornithine	Ornithine	HMDB0000214	6262	15729	C00077	27	NCCC[C@H](N)C(O)=O	1
72	70	orotate	Orotic acid	HMDB0000226	967	16742	C00295	318	OC(=O)C1=CC(=O)NC(=O)N1	1
73	71	palmitoleate (16:1n7)	NA	NA	NA	NA	NA	NA	NA	0
74	72	phenylalanine	L-Phenylalanine	HMDB0000159	6140	17295	C00079	28	N[C@@H](CC1=CC=CC=C1)C(O)=O	1
75	73	phosphate	Phosphate	HMDB0001429	1004	26078	C00009	3231	OP(O)(O)=O	1
76	74	proline	L-Proline	HMDB0000162	145742	17203	C00148	29	OC(=O)[C@@H]1CCCN1	1
77	75	lactate	L-Lactic acid	HMDB0000190	107689	422	C00186	5205	C[C@H](O)C(O)=O	1
78	76	pyridoxal	Pyridoxal	HMDB0001545	1050	17310	C00250	6312	CC1=NC=C(CO)C(C=O)=C1O	1
79	77	retinol (Vitamin A)	NA	NA	NA	NA	NA	NA	NA	0
80	78	salicylate	Salicyluric acid	HMDB0000840	10253	9008	C07588	617	OC(=O)CNC(=O)C1=C(O)C=CC=C1	1
81	79	serine	Serine	HMDB0062263	5951	17822	C00716	5203	N[C@@H](CO)C(O)=O	1
82	80	serotonin	Serotonin	HMDB0000259	5202	28790	C00780	74	NCCC1=CNC2=C1C=C(O)C=C2	1
83	81	taurine	Taurine	HMDB0000251	1123	15891	C00245	31	NCCS(O)(=O)=O	1
84	82	myristate (14:0)	NA	NA	NA	NA	NA	NA	NA	0
85	83	urea	Urea	HMDB0000294	1176	16199	C00086	6	NC(N)=O	1
86	84	uridine	Uridine	HMDB0000296	6029	16704	C00299	90	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(=O)NC1=O	1
87	85	trans-urocanate	Trans-urocanate	HMDB0062562	1178	27248			OC(=O)C=CC1=CN=CN1	1
88	86	glutamate	L-Glutamic acid	HMDB0000148	33032	16015	C00025	5174	N[C@@H](CCC(O)=O)C(O)=O	1
89	87	glutamine	L-Glutamine	HMDB0000641	5961	18050	C00064	5614	N[C@@H](CCC(N)=O)C(O)=O	1
90	88	threonine	L-Threonine	HMDB0000167	6288	16857	C00188	32	C[C@@H](O)[C@H](N)C(O)=O	1
91	89	tryptophan	L-Tryptophan	HMDB0000929	6305	16828	C00078	5879	N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O	1
92	90	valine	L-Valine	HMDB0000883	6287	16414	C00183	5842	CC(C)[C@H](N)C(O)=O	1
93	91	glucose	D-Glucose	HMDB0000122	5793	4167	C00221	133	OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	1
94	92	alpha-ketobutyrate	3-methyl pyruvic acid	HMDB0000005	58	30831	C00109		CCC(=O)C(=O)O	1
95	93	adenosine	Adenosine	HMDB0000050	60961	16335	C00212	86	NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1	1
96	94	betaine	Betaine	HMDB0000043	247	17750	C00719	287	C[N+](C)(C)CC([O-])=O	1
97	95	cysteine	L-Cysteine	HMDB0000574	5862	17561	C00097	5556	N[C@@H](CS)C(O)=O	1
98	96	mannose	D-Mannose	HMDB0000169	18950	4208	C00936		OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O	1
99	97	dimethylglycine	Dimethylglycine	HMDB0000092	673	17724	C01026	277	CN(C)CC(O)=O	1
100	98	alanine	L-Alanine	HMDB0000161	5950	16977	C00041		C[C@H](N)C(O)=O	1
101	99	tyrosine	L-Tyrosine	HMDB0000158	6057	17895	C00082	34	N[C@@H](CC1=CC=C(O)C=C1)C(O)=O	1
102	100	pseudouridine	Pseudouridine	HMDB0000767	15047	17802	C02067	5734	OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C1=CNC(=O)NC1=O	1
103	101	pyruvate	Pyruvic acid	HMDB0000243	1060	32816	C00022	117	CC(=O)C(=O)O	1
104	102	uracil	Uracil	HMDB0000300	1174	17568	C00106	258	O=C1NC=CC(=O)N1	1
105	103	cytidine	Cytidine	HMDB0000089	6253	17562	C00475	3376	NC1=NC(=O)N(C=C1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	1
106	104	caffeine	Caffeine	HMDB0001847	2519	27732	C07481	1455	CN1C=NC2=C1C(=O)N(C)C(=O)N2C	1
107	105	fructose	D-Fructose	HMDB0000660	439709	28645	C02336	135	OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O	1
108	106	adenine	Adenine	HMDB0000034	190	16708	C00147	85	NC1=C2NC=NC2=NC=N1	1
109	107	caprate (10:0)	NA	NA	NA	NA	NA	NA	NA	0
110	108	margarate (17:0)	NA	NA	NA	NA	NA	NA	NA	0
111	109	nonadecanoate (19:0)	NA	NA	NA	NA	NA	NA	NA	0
112	110	arachidate (20:0)	NA	NA	NA	NA	NA	NA	NA	0
113	111	maltose	Maltose	HMDB0037138	439341	18167	C00897		OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	1
114	112	asparagine	L-Asparagine	HMDB0000168	6267	17196	C00152	14	N[C@@H](CC(N)=O)C(O)=O	1
115	113	N-stearoyl-sphinganine (d18:0/18:0)*	NA	NA	NA	NA	NA	NA	NA	0
116	114	dihydroorotate	4,5-Dihydroorotic acid	HMDB0000528	648	30865	C00337	5513	OC(=O)C1CC(=O)NC(=O)N1	1
117	115	caproate (6:0)	Caproate (6:0)	HMDB0061883	8892	30776	C01585	5520	CCCCCC(O)=O	1
118	116	caprylate (8:0)	NA	NA	NA	NA	NA	NA	NA	0
119	117	pentadecanoate (15:0)	NA	NA	NA	NA	NA	NA	NA	0
120	118	trans-4-hydroxyproline	4-Hydroxyproline	HMDB0000725	5810	18095	C01157	257	O[C@H]1CN[C@@H](C1)C(O)=O	1
121	119	allantoin	Allantoin	HMDB0000462	204	15676	C01551	89	NC(=O)NC1NC(=O)NC1=O	1
122	120	xanthine	Xanthine	HMDB0000292	1188	17712	C00385	82	O=C1NC2=C(NC=N2)C(=O)N1	1
123	121	5-oxoproline	Pyroglutamic acid	HMDB0000267	7405	18183	C01879	3251	OC(=O)[C@@H]1CCC(=O)N1	1
124	122	picolinate	Picolinic acid	HMDB0002243	1018	28747	C10164		OC(=O)C1=CC=CC=N1	1
125	123	sarcosine	Sarcosine	HMDB0000271	1088	15611	C00213	51	CNCC(O)=O	1
126	124	pantothenate	Pantothenic acid	HMDB0000210	6613	46905	C00864		CC(C)(CO)[C@@H](O)C(=O)NCCC(O)=O	1
127	125	pipecolate	Pipecolic acid	HMDB0000070	849	17964	C00408	50	OC(=O)C1CCCCN1	1
128	126	phosphoethanolamine	O-Phosphoethanolamine	HMDB0000224	1015	17553	C00346	5233	NCCOP(O)(O)=O	1
129	127	glycerate	Glyceric acid	HMDB0000139	439194	32398	C00258	280	OC[C@@H](O)C(O)=O	1
130	128	3-ureidopropionate	Ureidopropionic acid	HMDB0000026	111	18261	C02642	5097	NC(=O)NCCC(O)=O	1
131	129	N-acetylleucine	N-Acetylleucine	HMDB0011756	70912	17786	C02710		CC(C)C[C@H](NC(C)=O)C(O)=O	1
132	130	N-acetylmethionine	N-Acetylmethionine	HMDB0011745	6180	21557	C02712		CSCC[C@H](NC(C)=O)C(O)=O	1
133	131	N-acetylvaline	N-Acetylvaline	HMDB0011757	227752	21565			CC(C)C(C(=O)O)NC(=O)C	1
134	132	erucate (22:1n9)	NA	NA	NA	NA	NA	NA	NA	0
135	133	bilirubin (Z,Z)	NA	NA	NA	NA	NA	NA	NA	0
136	134	thyroxine	Thyroxine	HMDB0000248	5819	18332	C01829	439	N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O	1
137	135	gamma-glutamyltyrosine	gamma-Glutamyltyrosine	HMDB0011741	94340	82969			N[C@@H](CCC(=O)N[C@@H](CC1=CC=C(O)C=C1)C(O)=O)C(O)=O	1
138	136	methyl indole-3-acetate	Indole-3-methyl acetate	HMDB0029738	74706	72782			COC(=O)CC1=CNC2=C1C=CC=C2	1
139	137	alpha-tocopherol	Alpha-Tocopherol	HMDB0001893	14985	18145	C02477	6376	CC1=C(C(=C2CC[C@@](OC2=C1C)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)O	1
140	138	N-acetylalanine	N-Acetyl-L-alanine	HMDB0000766	88064	40992		5733	C[C@H](NC(C)=O)C(O)=O	1
141	139	vanillylmandelate (VMA)	NA	NA	NA	NA	NA	NA	NA	0
142	140	4-acetamidobutanoate	4-Acetamidobutanoic acid	HMDB0003681	18189	17645	C02946		CC(=O)NCCCC(O)=O	1
143	141	3-aminoisobutyrate	3-Aminoisobutanoic acid	HMDB0003911	64956	27389	C05145	5472	CC(CN)C(=O)O	1
144	142	citrate	Citric acid	HMDB0000094	311	30769	C00158	124	OC(=O)CC(O)(CC(O)=O)C(O)=O	1
145	143	2-aminobutyrate	L-Alpha-aminobutyric acid	HMDB0000452	80283	35619	C02356	12	CC[C@@H](C(=O)O)N	1
146	144	urate	Uric acid	HMDB0000289	1175	17775	C00366	88	O=C1NC2=C(N1)C(=O)NC(=O)N2	1
147	145	ursodeoxycholate	Ursodeoxycholic acid	HMDB0000946	31401	9907	C07880	5893	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	1
148	146	oleoyl ethanolamide	NA	NA	NA	NA	NA	NA	NA	0
149	147	gamma-glutamylglutamine	N2-gamma-Glutamylglutamine	HMDB0011738	150914	73707	C05283		N[C@@H](CCC(=O)N[C@@H](CCC(N)=O)C(O)=O)C(O)=O	1
150	148	4-hydroxyphenylpyruvate	4-Hydroxyphenylpyruvic acid	HMDB0000707	979	15999	C01179	5675	OC(=O)C(=O)CC1=CC=C(O)C=C1	1
151	149	butyrate/isobutyrate (4:0)	NA	NA	NA	NA	NA	NA	NA	0
152	150	N-acetylneuraminate	N-Acetylneuraminate		3568	17012	C00270			1
153	151	N-acetylglucosaminylasparagine	Aspartylglycosamine	HMDB0000489	123826	17261	C04540	5476	CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1NC(=O)C[C@H](N)C(O)=O	1
154	152	acetoacetate	Acetoacetic acid	HMDB0000060	96	15344	C00164	276	CC(=O)CC(=O)O	1
155	153	creatine	Creatine	HMDB0000064	586	16919	C00300	7	CN(CC(O)=O)C(N)=N	1
156	154	cys-gly, oxidized	NA	NA	NA	NA	NA	NA	NA	0
157	155	dihomo-linoleate (20:2n6)	NA	NA	NA	NA	NA	NA	NA	0
158	156	gamma-glutamylhistidine	gamma-Glutamylhistidine	HMDB0029151	7017195	133032			N[C@@H](CCC(=O)N[C@@H](CC1=CNC=N1)C(O)=O)C(O)=O	1
159	157	2-hydroxystearate	NA	NA	NA	NA	NA	NA	NA	0
160	158	N1-methyladenosine	1-Methyladenosine	HMDB0003331	27476	16020	C02494	6888	CN1C=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1=N	1
161	159	glycerol	Glycerol	HMDB0000131	753	17754	C00116	105	OCC(O)CO	1
162	160	choline	Choline	HMDB0000097	305	15354	C00114	56	C[N+](C)(C)CCO	1
163	161	gamma-glutamylleucine	L-gamma-glutamyl-L-leucine	HMDB0011171	4524287	68433			CC(C)C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(O)=O	1
164	162	3-methoxytyrosine	3-Methoxytyrosine	HMDB0001434	1670				COC1=C(O)C=CC(CC(N)C(O)=O)=C1	1
165	163	beta-hydroxyisovalerate	3-Hydroxyisovaleric acid	HMDB0000754	69362	37084	C20827	5722	CC(C)(CC(=O)O)O	1
166	164	arachidonoyl ethanolamide	Anandamide (20:4, n-6)	HMDB0004080	5281969	2700	C11695		CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCO	1
167	165	palmitoyl ethanolamide	Palmitoylethanolamide	HMDB0002100	4671	71464	C16512		CCCCCCCCCCCCCCCC(=O)NCCO	1
168	166	N-palmitoyl-sphingosine (d18:1/16:0)	NA	NA	NA	NA	NA	NA	NA	0
169	167	1-palmitoyl-2-oleoyl-GPE (16:0/18:1)	NA	NA	NA	NA	NA	NA	NA	0
170	168	1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	NA	NA	NA	NA	NA	NA	NA	0
171	169	1-palmitoyl-2-linoleoyl-GPC (16:0/18:2)	PC(16:0/18:2(9Z,12Z))	HMDB0007973	5287971		C00157		CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC	1
172	170	stearoyl sphingomyelin (d18:1/18:0)	NA	NA	NA	NA	NA	NA	NA	0
173	171	1-palmitoyl-2-oleoyl-GPC (16:0/18:1)	NA	NA	NA	NA	NA	NA	NA	0
174	172	N-stearoyl-sphingosine (d18:1/18:0)*	NA	NA	NA	NA	NA	NA	NA	0
175	173	glycochenodeoxycholate	Chenodeoxycholic acid glycine conjugate	HMDB0000637	22833540		C05466	5610	C[C@H](CCC(=O)NCC(=O)O)[C@H]1CCC2[C@@]1(CCC3C2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	1
176	174	taurochenodeoxycholate	Taurochenodesoxycholic acid	HMDB0000951	387316	16525	C05465	5897	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	1
177	175	taurocholate	Taurocholic acid	HMDB0000036	6675	28865	C05122	5104	CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C1([C@H](CC3C2[C@@H](C[C@H]4C3(CC[C@H](C4)O)C)O)O)C	1
178	176	taurodeoxycholate	Taurodeoxycholic acid	HMDB0000896	2733768	9410	C05463	5853	C[C@H](CCC(=O)NCCS(=O)(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C	1
179	177	2-hydroxyhippurate (salicylurate)	NA	NA	NA	NA	NA	NA	NA	0
180	178	4-acetaminophen sulfate	Paracetamol sulfate	HMDB0059911	83939	32635			CC(=O)NC1=CC=C(OS(O)(=O)=O)C=C1	1
181	179	eicosapentaenoate (EPA	NA	NA	NA	NA	NA	NA	NA	0
182	180	20:5n3)	NA	NA	NA	NA	NA	NA	NA	0
183	181	methylsuccinate	Methylsuccinic acid	HMDB0001844	10349	29003	C08645	6344	CC(CC(=O)O)C(=O)O	1
184	182	ethylmalonate	Ethylmalonic acid	HMDB0000622	11756	741548		4180	CCC(C(=O)O)C(=O)O	1
185	183	carnitine	L-Carnitine	HMDB0000062	10917	16347	C00318	52	C[N+](C)(C)C[C@H](O)CC([O-])=O	1
186	184	benzoate	Benzoate	HMDB0013677	7424	39912	C00180		OC(=O)C1=CC(O)=CC(O)=C1	1
187	185	3-phenylpropionate (hydrocinnamate)	NA	NA	NA	NA	NA	NA	NA	0
188	186	hippurate	Hippuric acid	HMDB0000714	464	18089	C01586	1301	OC(=O)CNC(=O)C1=CC=CC=C1	1
189	187	xanthurenate	Xanthurenic acid	HMDB0000881	5699	10072	C02470	5841	OC(=O)C1=NC2=C(O)C=CC=C2C(O)=C1	1
190	188	suberate (C8-DC)	NA	NA	NA	NA	NA	NA	NA	0
191	189	3-methyl-2-oxovalerate	3-Methyl-2-oxovaleric acid	HMDB0000491	47	35932	C00671	5478	CCC(C)C(=O)C(O)=O	1
192	190	methionine sulfoxide	Methionine sulfoxide	HMDB0002005	158980	17016	C02989	6428	CS(=O)CC[C@H](N)C(O)=O	1
193	191	3-methylhistidine	3-Methylhistidine	HMDB0000479	64969	27596	C01152	5466	[H][C@](N)(CC1=CN=CN1C)C(O)=O	1
194	192	5-hydroxylysine	procollagen 5-hydroxy-L-lysine	HMDB0000450	4433	18040	C16741	5439	NC[C@H](O)CC[C@H](N)C(O)=O	1
195	193	4-guanidinobutanoate	4-Guanidinobutanoic acid	HMDB0003464	500	15728	C01035	6938	NC(=N)NCCCC(O)=O	1
196	194	glucuronate	Glucuronic acid	HMDB0000127	94715	42717	C00191	161	O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	1
197	195	glycerol 3-phosphate	Glycerol 3-phosphate	HMDB0000126	439162	15978	C00093	5161	C([C@H](COP(=O)(O)O)O)O	1
198	196	imidazole lactate	Imidazole lactate	METPA0616		24773	C05568			1
199	197	kynurenine	L-Kynurenine	HMDB0000684	161166	16946	C00328	72	N[C@@H](CC(=O)C1=CC=CC=C1N)C(O)=O	1
200	198	glycerophosphorylcholine (GPC)	NA	NA	NA	NA	NA	NA	NA	0
201	199	maltotriose	Maltotriose	HMDB0001262	439586	140999	C01835	3585	OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O	1
202	200	N-acetylglutamate	N-Acetylglutamic acid	HMDB0001138	70914	17533	C00624	6031	CC(=O)N[C@@H](CCC(O)=O)C(O)=O	1