an omega-carboxy-(fatty acyl)-CoA

Properties Image MNX_ID MNXM1135411 reference chebi:177898 formula C23H31N7O19P3S* global charge -5 mol weight   InChIKey   InChI   SMILES CC(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-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[*]C(=O)[O-] MNX internals InChI (mnx) InChI=1/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1/i7+1 SMILES (mnx) [CH3:1][C:24]([CH3:2])([CH2:9][O:47][P:53]([OH:44])(=[O:45])[O:50][P:52]([OH:42])(=[O:43])[O:46][CH2:8][C@@H:12]1[C@@H:18]([O:49][P:51]([OH:39])([OH:40])=[O:41])[C@@H:17]([OH:36])[C@H:23]([N:31]2[CH:11]=[N:30][C:16]3=[C:20]([NH2:25])[N:28]=[CH:10][N:29]=[C:21]32)[O:48]1)[C@H:19]([C:22](=[N:27][CH2:4][CH2:3][C:13](=[N:26][CH2:5][CH2:6][S:54][C:15]([13CH2:7][C:14](=[O:33])[OH:34])=[O:35])[OH:32])[OH:38])[OH:37]

Parent-child relations graph

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