18'-hydroxy-chi,chi-caroten-18-oic acid

Properties Image MNX_ID MNXM9722 reference chebi:176860 formula C40H46O3 global charge 0 mol weight 574.805 InChIKey QELCRTHCYSTRJW-GQHZKSQNSA-N InChI InChI=1S/C40H46O3/c1-28(15-11-17-30(3)19-21-36-23-24-38(27-41)33(6)32(36)5)13-9-10-14-29(2)16-12-18-31(4)20-22-37-25-26-39(40(42)43)35(8)34(37)7/h9-26,41H,27H2,1-8H3,(H,42,43)/b10-9+,15-11+,16-12+,21-19+,22-20+,28-13+,29-14+,30-17+,31-18+ SMILES CC1=C(C)C(CO)=CC=C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=CC=C(C(=O)O)C(C)=C1C MNX internals InChI (mnx) InChI=1/C40H46O3/c1-28(15-11-17-30(3)19-21-36-23-24-38(27-41)33(6)32(36)5)13-9-10-14-29(2)16-12-18-31(4)20-22-37-25-26-39(40(42)43)35(8)34(37)7/h9-26,41H,27H2,1-8H3,(H,42,43)/b10-9+,15-11+,16-12+,21-19+,22-20+,28-13+,29-14+,30-17+,31-18+ SMILES (mnx) [CH3:1][C:28](=[CH:13]\[CH:9]=[CH:10]\[CH:14]=[C:29]([CH3:2])\[CH:16]=[CH:12]\[CH:18]=[C:31]([CH3:4])\[CH:20]=[CH:22]\[C:37]1=[C:34]([CH3:7])[C:35]([CH3:8])=[C:39]([C:40]([OH:42])=[O:43])[CH:26]=[CH:25]1)/[CH:15]=[CH:11]/[CH:17]=[C:30]([CH3:3])/[CH:19]=[CH:21]/[C:36]1=[C:32]([CH3:5])[C:33]([CH3:6])=[C:38]([CH2:27][OH:41])[CH:24]=[CH:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 5 in models (compartimentalized) 0