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][CH2:6][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][CH2:26][CH2:27]/[CH:28]=[CH:29]/[C:39](=[O:48])[S:56][CH2:33][CH2:32][N:44]=[C:38]([CH2:30][CH2:31][N:45]=[C:41]([C@@H:40]([C:42]([CH3:3])([CH3:4])[CH2:35][O:54][P:55]([OH:51])(=[O:52])[O:53][CH2:34][C@@H:37]([C:36]([13CH3:2])=[O:46])[NH:43][13CH3:5])[OH:49])[OH:50])[OH:47]

Parent-child relations graph

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