hydroxy-beta-zeacarotene

Properties Image MNX_ID MNXM18598 reference metacycM:CPD-7420 formula C40H58O global charge 0 mol weight 554.903 InChIKey NDQJOTBVTPZBKX-KVAFJYRMSA-N InChI InChI=1S/C40H58O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14,16-19,21-24,26-28,38,41H,13,15,20,25,29-30H2,1-10H3/b12-11+,21-14+,22-16+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1 SMILES CC(C)=CCC/C(C)=C/CC/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C[C@@H](O)CC1(C)C MNX internals InChI (mnx) InChI=1/C40H58O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14,16-19,21-24,26-28,38,41H,13,15,20,25,29-30H2,1-10H3/b12-11+,21-14+,22-16+,28-27+,32-18+,33-19+,34-23+,35-24+,36-26+/t38-/m1/s1 SMILES (mnx) [CH3:1][C:31]([CH3:2])=[CH:17][CH2:13][CH2:20]/[C:34]([CH3:5])=[CH:23]/[CH2:15][CH2:25]/[C:35]([CH3:6])=[CH:24]/[CH:14]=[CH:21]/[C:32]([CH3:3])=[CH:18]/[CH:11]=[CH:12]/[CH:19]=[C:33]([CH3:4])/[CH:22]=[CH:16]/[CH:26]=[C:36]([CH3:7])/[CH:27]=[CH:28]/[C:39]1=[C:37]([CH3:8])[CH2:29][C@@H:38]([OH:41])[CH2:30][C:40]1([CH3:9])[CH3:10]

Parent-child relations graph

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