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

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

Properties Image MNX_ID MNXM1134880 reference metacycM:Trans-D2-hexacos-2-enoyl-TYPE-I-FAS-ACPs formula C40H73N3O9PS*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/CCCCCCCCCCCCCCCCCCCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C42H80N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-39(48)56-33-32-44-38(47)30-31-45-41(50)40(49)42(3,4)35-54-55(51,52)53-34-37(43-5)36(2)46/h28-29,37,40,43,49H,6-27,30-35H2,1-5H3,(H,44,47)(H,45,50)(H,51,52)/b29-28+/t37-,40-/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][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]/[CH:26]=[CH:27]/[C:37](=[O:46])[O:54][CH2:31][CH2:30][CH2:42][C:36]([CH2:28][CH2:29][NH:43][C:39]([C@H:38]([C:40]([13CH3:2])([CH3:3])[CH2:34][O:52][O:53]([OH:49])(=[O:50])[O:51][CH2:33][C@@H:35]([C:32](=[NH:44])[PH2:55])[CH2:41][SH:56])[OH:47])=[O:48])=[NH:45]

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:Trans-D2-hexacos-2-enoyl-TYPE-I-FAS-ACPs metacycM:Trans-D2-hexacos-2-enoyl-TYPE-I-FAS-ACPs	a (2E)-hexacos-2-enoyl-[acp domain within a fatty acid synthase] a trans-hexacos-2-enoyl-[acp domain within a fatty acid synthase]