CHEBI:91008 - 3-cis-hydroxy-β,ε-caroten-3'-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-cis-hydroxy-β,ε-caroten-3'-one
ChEBI ID CHEBI:91008
ChEBI ASCII Name 3-cis-hydroxy-beta,epsilon-caroten-3'-one
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:132920
Supplier Information
Download Molfile XML SDF
Formula C40H54O2
Net Charge 0
Average Mass 566.857
Monoisotopic Mass 566.41238
InChI InChI=1S/C40H54O2/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/h11-25,36-37,42H,26-28H2,1-10H3/b12-11-,17-13+,18-14+,23-21+,24-22+,29-15-,30-16+,31-19+,32-20+/t36-,37+/m1/s1
InChIKey OABQIJAIRYEICK-UEJMDPRYSA-N
SMILES C1(C[C@@H](CC(=C1/C=C/C(=C/C=C/C(=C/C=C\C=C(/C=C/C=C(/C=C/[C@@H]2C(C)(CC(C=C2C)=O)C)\C)\C)/C)/C)C)O)(C)C
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
ChEBI Ontology
Outgoing 3-cis-hydroxy-β,ε-caroten-3'-one (CHEBI:91008) is a carotenone (CHEBI:35310)
3-cis-hydroxy-β,ε-caroten-3'-one (CHEBI:91008) is a enone (CHEBI:51689)
3-cis-hydroxy-β,ε-caroten-3'-one (CHEBI:91008) is a secondary alcohol (CHEBI:35681)
IUPAC Name
(3'R,6R,13cis,15cis)-3'-hydroxy-4,5-didehydro-5,6-dihydro-β,β-caroten-3-one
Manual Xref Database
HMDB0002890 HMDB
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Registry Number Type Source
143167-27-5 CAS Registry Number HMDB
Last Modified
30 January 2019