**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

S-inosyl-L-homocysteine zwitterion

Properties Image MNX_ID MNXM4817 reference chebi:57985 formula C14H19N5O6S global charge 0 mol weight 385.402 InChIKey VNPWVMVYUSNFAW-WFMPWKQPSA-N InChI InChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1 SMILES [NH3+][C@@H](CCSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O)C(=O)[O-] MNX internals InChI (mnx) InChI=1/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][S:26][CH2:3][C@@H:7]1[C@@H:9]([OH:20])[C@@H:10]([OH:21])[C@H:13]([n:19]2[cH:5][n:18][c:8]3[c:11]2[n:16][cH:4][n:17][c:12]3[OH:22])[O:25]1)[C@@H:6]([C:14]([OH:23])=[O:24])[NH2:15]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2

Similar chemical compounds in external resources

Identifier	Description
CHEBI:57985 chebi:57985 VNPWVMVYUSNFAW-WFMPWKQPSA-N	S-inosyl-L-homocysteine zwitterion 9-{5-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5-thio-beta-D-ribofuranosyl}-9H-purin-6-ol S-inosyl-L-homocysteine
CHEBI:45633 chebi:45633 VNPWVMVYUSNFAW-WFMPWKQPSA-N	(2S)-2-amino-4-{[1-(6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-dideoxy-beta-D-ribofuranos-5-yl]sulfanyl}butanoic acid (2S)-2-AMINO-4-({[(2S,3S,4R,5R)-3,4-DIHYDROXY-5-(6-OXO-1,6-DIHYDRO-9H-PURIN-9-YL)TETRAHYDROFURAN-2-YL]METHYL}THIO)BUTANOIC ACID (2S)-2-amino-4-({[(2S,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-1,6-dihydro-9H-purin-9-yl)tetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid (non-preferred name)
seed.compound:cpd02171 seedM:cpd02171 sabiork.compound:6624 sabiorkM:6624 kegg.compound:C03431 keggC:C03431 VNPWVMVYUSNFAW-WFMPWKQPSA-N	S-Inosyl-L-homocysteine
metacyc.compound:CPD-601 metacycM:CPD-601 VNPWVMVYUSNFAW-WFMPWKQPSA-N	S-inosyl-L-homocysteine
CHEBI:17010 chebi:17010 VNPWVMVYUSNFAW-WFMPWKQPSA-N	S-inosyl-L-homocysteine S-(5'-deoxyinosin-5'-yl)-L-homocysteine S-Inosyl-L-homocysteine
chebi:12747 chebi:22053 chebi:8961 keggC:M_C03431 seedM:M_cpd02171	secondary/obsolete/fantasy identifier