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

a (2E)-icos-2-enoyl-[acp domain within a fatty acid synthase]

Properties Image MNX_ID MNXM1134441 reference metacycM:Icos-2-enoyl-TYPE-I-FAS-ACPs formula C34H61N3O9PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C36H68N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(42)50-27-26-38-32(41)24-25-39-35(44)34(43)36(3,4)29-48-49(45,46)47-28-31(37-5)30(2)40/h22-23,31,34,37,43H,6-21,24-29H2,1-5H3,(H,38,41)(H,39,44)(H,45,46)/b23-22+/t31-,34-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:4][13CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:20]=[CH:21]/[C:31](=[O:40])[O:48][CH2:25][CH2:24][CH2:36][C:30]([CH2:22][CH2:23][NH:37][C:33]([C@H:32]([C:34]([13CH3:2])([CH3:3])[CH2:28][O:46][O:47]([OH:43])(=[O:44])[O:45][CH2:27][C@@H:29]([C:26](=[NH:38])[PH2:49])[CH2:35][SH:50])[OH:41])=[O:42])=[NH:39]

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
metacyc.compound:Icos-2-enoyl-TYPE-I-FAS-ACPs metacycM:Icos-2-enoyl-TYPE-I-FAS-ACPs	a (2E)-icos-2-enoyl-[acp domain within a fatty acid synthase]