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][CH2:6][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]/[CH:22]=[CH:23]/[C:33](=[O:42])[S:50][CH2:27][CH2:26][N:38]=[C:32]([CH2:24][CH2:25][N:39]=[C:35]([C@@H:34]([C:36]([CH3:3])([CH3:4])[CH2:29][O:48][P:49]([OH:45])(=[O:46])[O:47][CH2:28][C@@H:31]([C:30]([13CH3:2])=[O:40])[NH:37][13CH3:5])[OH:43])[OH:44])[OH:41]

Parent-child relations graph

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