a (2E,11Z)-octadeca-2,11-dienoyl-[acp]

Properties Image MNX_ID MNXM11119 reference metacycM:cis-vaccen-2-enoyl-ACPs formula C32H55N3O9PS*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/CCCCCCC/C=C\CCCCCC)C([*])=O MNX internals InChI (mnx) InChI=1/C34H62N3O9PS/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(40)48-25-24-36-30(39)22-23-37-33(42)32(41)34(3,4)27-46-47(43,44)45-26-29(35-5)28(2)38/h11-12,20-21,29,32,35,41H,6-10,13-19,22-27H2,1-5H3,(H,36,39)(H,37,42)(H,43,44)/b12-11-,21-20+/t29-,32-/m0/s1/i2+1,5+1 SMILES (mnx) [CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]/[CH:20]=[CH:21]/[C:31](=[O:40])[S:48][CH2:25][CH2:24][N:36]=[C:30]([CH2:22][CH2:23][N:37]=[C:33]([C@@H:32]([C:34]([CH3:3])([CH3:4])[CH2:27][O:46][P:47]([OH:43])(=[O:44])[O:45][CH2:26][C@@H:29]([C:28]([13CH3:2])=[O:38])[NH:35][13CH3:5])[OH:41])[OH:42])[OH:39]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0