Synechoxanthin

Properties Image MNX_ID MNXM21955 reference chebi:209001 formula C40H44O4 global charge 0 mol weight 588.788 InChIKey BFYXFUUHZKWAJW-TUOVYMBRSA-N InChI InChI=1S/C40H44O4/c1-27(15-11-17-29(3)19-21-35-23-25-37(39(41)42)33(7)31(35)5)13-9-10-14-28(2)16-12-18-30(4)20-22-36-24-26-38(40(43)44)34(8)32(36)6/h9-26H,1-8H3,(H,41,42)(H,43,44)/b10-9+,15-11+,16-12+,21-19+,22-20+,27-13+,28-14+,29-17+,30-18+ 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(C)=C(C(=O)O)C=C2)C=CC(C(=O)O)=C1C MNX internals InChI (mnx) InChI=1/C40H44O4/c1-27(15-11-17-29(3)19-21-35-23-25-37(39(41)42)33(7)31(35)5)13-9-10-14-28(2)16-12-18-30(4)20-22-36-24-26-38(40(43)44)34(8)32(36)6/h9-26H,1-8H3,(H,41,42)(H,43,44)/b10-9+,15-11+,16-12+,21-19+,22-20+,27-13+,28-14+,29-17+,30-18+ SMILES (mnx) [CH3:1][C:27](=[CH:13]\[CH:9]=[CH:10]\[CH:14]=[C:28]([CH3:2])\[CH:16]=[CH:12]\[CH:18]=[C:30]([CH3:4])\[CH:20]=[CH:22]\[C:36]1=[C:32]([CH3:6])[C:34]([CH3:8])=[C:38]([C:40]([OH:43])=[O:44])[CH:26]=[CH:24]1)/[CH:15]=[CH:11]/[CH:17]=[C:29]([CH3:3])/[CH:19]=[CH:21]/[C:35]1=[C:31]([CH3:5])[C:33]([CH3:7])=[C:37]([C:39]([OH:41])=[O:42])[CH:25]=[CH:23]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 3 in models (compartimentalized) 0