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Ligand ID | ZE0 |
InChI | InChI=1S/C40H56O/c1-33(2)19-13-22-36(5)25-16-28-37(6)26-14-23-34(3)20-11-12-21-35(4)24-15-27-38(7)29-17-30-39(8)31-18-32-40(9,10)41/h11-17,19-30,41H,18,31-32H2,1-10H3/b12-11+,22-13+,23-14+,24-15+,28-16+,29-17+,34-20+,35-21+,36-25+,37-26+,38-27+,39-30+ |
InChIKey | SBVLKWMQRFTYPE-WRNKADOOSA-N |
SMILES | Software | SMILES |
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CACTVS 3.370 | CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C)(C)O | ACDLabs 12.01 | OC(C)(C)CCCC(=C\C=C\C(=C\C=C\C(=C\C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(\C)C)C)C)C)C)C)\C | OpenEye OEToolkits 1.7.6 | CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)C)C)C)C | OpenEye OEToolkits 1.7.6 | CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CCCC(C)(C)O)/C)/C)/C)C | CACTVS 3.370 | CC(C)=CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O |
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Formula | C40 H56 O |
Name | (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol |
ChEMBL | |
DrugBank | |
ZINC | ZINC000102192298
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PDB chain | 7ze3 Chain M Residue 104
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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