an (11E)-Delta(11)-fatty acyl-CoA

Properties Image MNX_ID MNXM148882 reference chebi:84949 formula C33H51N7O17P3S* global charge -4 mol weight   InChIKey   InChI   SMILES [*]/C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-] MNX internals InChI (mnx) InChI=1/C34H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-25(43)62-18-17-36-24(42)15-16-37-32(46)29(45)34(2,3)20-55-61(52,53)58-60(50,51)54-19-23-28(57-59(47,48)49)27(44)33(56-23)41-22-40-26-30(35)38-21-39-31(26)41/h4-5,21-23,27-29,33,44-45H,6-20H2,1-3H3,(H,36,42)(H,37,46)(H,50,51)(H,52,53)(H2,35,38,39)(H2,47,48,49)/b5-4+/t23-,27-,28-,29+,33-/m1/s1/i1+1 SMILES (mnx) [13CH3:1]/[CH:4]=[CH:5]/[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:25](=[O:43])[S:62][CH2:18][CH2:17][N:36]=[C:24]([CH2:15][CH2:16][N:37]=[C:32]([C@@H:29]([C:34]([CH3:2])([CH3:3])[CH2:20][O:55][P:61]([OH:52])(=[O:53])[O:58][P:60]([OH:50])(=[O:51])[O:54][CH2:19][C@@H:23]1[C@@H:28]([O:57][P:59]([OH:47])([OH:48])=[O:49])[C@@H:27]([OH:44])[C@H:33]([N:41]2[CH:22]=[N:40][C:26]3=[C:30]([NH2:35])[N:38]=[CH:21][N:39]=[C:31]32)[O:56]1)[OH:45])[OH:46])[OH:42]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0