CHEBI:3375 - capsanthin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name capsanthin
ChEBI ID CHEBI:3375
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C40H56O3
Net Charge 0
Average Mass 584.87084
Monoisotopic Mass 584.423
InChI InChI=1S/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t34-,35+,40+/m1/s1
InChIKey VYIRVAXUEZSDNC-RDJLEWNRSA-N
SMILES CC(\C=C\C=C(C)\C=C\C(=O)[C@]1(C)C[C@@H](O)CC1(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
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing capsanthin (CHEBI:3375) has role plant metabolite (CHEBI:76924)
capsanthin (CHEBI:3375) is a carotenone (CHEBI:35310)
Incoming capsanthin 5,6-epoxide (CHEBI:91165) has functional parent capsanthin (CHEBI:3375)
IUPAC Name
(3R,3'S,5'R)-3,3'-dihydroxy-β,κ-caroten-6'-one
Synonyms Sources
all-trans-capsanthin UniProt
Capsanthin KEGG COMPOUND
Manual Xrefs Databases
C00003763 KNApSAcK
C08584 KEGG COMPOUND
CAPSANTHIN MetaCyc
HMDB0036590 HMDB
LMPR01070265 LIPID MAPS
View more database links
Registry Numbers Types Sources
2493991 Beilstein Registry Number Beilstein
2493991 Reaxys Registry Number Reaxys
465-42-9 CAS Registry Number KEGG COMPOUND
465-42-9 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
19646292 PubMed citation Europe PMC
22287739 PubMed citation Europe PMC
23767359 PubMed citation Europe PMC
Last Modified
13 April 2015