CHEBI:176102 - (3S,3'S,all-E)-Zeaxanthin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (3S,3'S,all-E)-Zeaxanthin
ChEBI ID CHEBI:176102
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
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Formula C40H56O2
Net Charge 0
Average Mass 568.886
Monoisotopic Mass 568.42803
InChI InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-/m0/s1
InChIKey JKQXZKUSFCKOGQ-ANDPMPNWSA-N
SMILES O[C@@H]1CC(C(=C(C1)C)/C=C/C(/C)=C/C=C/C(/C)=C/C=C/C=C(/C=C/C=C(/C=C/C=2C(C[C@@H](O)CC2C)(C)C)\C)\C)(C)C
ChEBI Ontology
Outgoing (3S,3'S,all-E)-Zeaxanthin (CHEBI:176102) is a xanthophyll (CHEBI:27325)
IUPAC Name
(1S)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol
Manual Xrefs Databases
10398364 ChemSpider
C7Z PDBeChem
HMDB0040162 HMDB
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Registry Number Type Source
72002-36-9 CAS Registry Number ChemIDplus