4-hydroxy-all-trans-beta-carotene

Properties Image MNX_ID MNXM148288 reference chebi:140677 formula C40H56O global charge 0 mol weight 552.887 InChIKey JCRCKXUPYKELBT-QQGJMDNJSA-N InChI InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+ 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)C(O)CCC2(C)C)C(C)(C)CCC1 MNX internals InChI (mnx) InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-36-34(5)22-15-28-39(36,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-37-35(6)38(41)27-29-40(37,9)10/h11-14,16-21,23-26,38,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t38? SMILES (mnx) [CH3:1][C:30](=[CH:16]\[CH:11]=[CH:12]\[CH:17]=[C:31]([CH3:2])\[CH:19]=[CH:14]\[CH:21]=[C:33]([CH3:4])\[CH:24]=[CH:26]\[C:37]1=[C:35]([CH3:6])[CH:38]([OH:41])[CH2:27][CH2:29][C:40]1([CH3:9])[CH3:10])/[CH:18]=[CH:13]/[CH:20]=[C:32]([CH3:3])/[CH:23]=[CH:25]/[C:36]1=[C:34]([CH3:5])[CH2:22][CH2:15][CH2:28][C:39]1([CH3:7])[CH3:8]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 6 in models (compartimentalized) 0