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

L-homocysteinyl-AMP

Properties Image MNX_ID MNXM1412807 reference chebi:233461 formula C14H21N6O8PS global charge   mol weight 464.397 InChIKey GTCBZVYHMVYZBU-WFMPWKQPSA-N InChI InChI=1S/C14H21N6O8PS/c15-6(1-2-30)14(23)28-29(24,25)26-3-7-9(21)10(22)13(27-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22,30H,1-3,15H2,(H,24,25)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 SMILES Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)([O-])OC(=O)[C@@H]([NH3+])CCS)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C14H21N6O8PS/c15-6(1-2-30)14(23)28-29(24,25)26-3-7-9(21)10(22)13(27-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22,30H,1-3,15H2,(H,24,25)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1 SMILES (mnx) [CH2:1]([CH2:2][SH:30])[C@@H:6]([C:14](=[O:23])[O:28][P:29]([OH:24])(=[O:25])[O:26][CH2:3][C@@H:7]1[C@@H:9]([OH:21])[C@@H:10]([OH:22])[C@H:13]([n:20]2[cH:5][n:19][c:8]3[c:11]([NH2:16])[n:17][cH:4][n:18][c:12]32)[O:27]1)[NH2:15]

Parent-child relations graph

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

Similar chemical compounds in external resources

Identifier	Description
CHEBI:233461 chebi:233461 GTCBZVYHMVYZBU-WFMPWKQPSA-N	L-homocysteinyl-AMP (L-homocysteinyl)adenylate L-homocysteinyl-AMP zwitterion L-homocysteinyl-adenylate
metacyc.compound:CPD-26477 metacycM:CPD-26477 GTCBZVYHMVYZBU-WFMPWKQPSA-N	(L-homocysteinyl)adenylate L-homocysteinyl-AMP L-homocysteinyl-adenylate