pseudomonate C

Properties Image MNX_ID MNXM168935 reference chebi:142974 formula C26H43O8 global charge -1 mol weight 483.622 InChIKey KKMHFUKZHJOMJL-WZLBZGCNSA-M InChI InChI=1S/C26H44O8/c1-18(16-24(30)33-14-9-7-5-4-6-8-13-23(28)29)15-22-26(32)25(31)21(17-34-22)12-10-11-19(2)20(3)27/h10-11,16,19-22,25-27,31-32H,4-9,12-15,17H2,1-3H3,(H,28,29)/p-1/b11-10+,18-16+/t19-,20+,21+,22+,25-,26+/m1/s1 SMILES C/C(=C\C(=O)OCCCCCCCCC(=O)[O-])C[C@@H]1OC[C@H](C/C=C/[C@@H](C)[C@H](C)O)[C@@H](O)[C@H]1O MNX internals InChI (mnx) InChI=1/C26H44O8/c1-18(16-24(30)33-14-9-7-5-4-6-8-13-23(28)29)15-22-26(32)25(31)21(17-34-22)12-10-11-19(2)20(3)27/h10-11,16,19-22,25-27,31-32H,4-9,12-15,17H2,1-3H3,(H,28,29)/b11-10+,18-16+/t19-,20+,21+,22+,25-,26+/m1/s1 SMILES (mnx) [CH3:1]/[C:18]([CH2:15][C@H:22]1[C@H:26]([OH:32])[C@H:25]([OH:31])[C@@H:21]([CH2:12]/[CH:10]=[CH:11]/[C@@H:19]([CH3:2])[C@H:20]([CH3:3])[OH:27])[CH2:17][O:34]1)=[CH:16]\[C:24](=[O:30])[O:33][CH2:14][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:13][C:23](=[O:28])[OH:29]

Parent-child relations graph

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