(2S,2'S)-dihydroxy-all-trans-beta-carotene

Properties Image MNX_ID MNXM114572 reference metacycM:CPD-15034 formula C40H56O2 global charge 0 mol weight 568.886 InChIKey YNQCUMWYQVISHF-NAYUYCLGSA-N InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-22,25-26,37-38,41-42H,23-24,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m0/s1 SMILES CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CC[C@H](O)C2(C)C)C(C)(C)[C@@H](O)CC1 MNX internals InChI (mnx) InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-25-35-33(5)23-27-37(41)39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-26-36-34(6)24-28-38(42)40(36,9)10/h11-22,25-26,37-38,41-42H,23-24,27-28H2,1-10H3/b12-11+,17-13+,18-14+,25-21+,26-22+,29-15+,30-16+,31-19+,32-20+/t37-,38-/m0/s1 SMILES (mnx) [CH3:1][C:29](=[CH:15]\[CH:11]=[CH:12]\[CH:16]=[C:30]([CH3:2])\[CH:18]=[CH:14]\[CH:20]=[C:32]([CH3:4])\[CH:22]=[CH:26]\[C:36]1=[C:34]([CH3:6])[CH2:24][CH2:28][C@H:38]([OH:42])[C:40]1([CH3:9])[CH3:10])/[CH:17]=[CH:13]/[CH:19]=[C:31]([CH3:3])/[CH:21]=[CH:25]/[C:35]1=[C:33]([CH3:5])[CH2:23][CH2:27][C@H:37]([OH:41])[C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

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