CHEBI:91165 - capsanthin 5,6-epoxide

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ChEBI Name capsanthin 5,6-epoxide
ChEBI ID CHEBI:91165
Definition A epoxycarotenol that is capsanthin in which the 5,6-double bond has been epoxidised.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
Download Molfile XML SDF
Formula C40H56O4
Net Charge 0
Average Mass 600.872
Monoisotopic Mass 600.41786
InChI InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,22-21+,24-23+,29-15+,30-16+,31-19+,32-20+/t33-,34-,38-,39+,40-/m0/s1
InChIKey QAILMWKAKHIIHL-CRBKEJBVSA-N
SMILES C(/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=C/C=C(/C=C/[C@@]12[C@](C[C@@H](O)CC1(C)C)(C)O2)\C)/C)/C)([C@@]3(C[C@H](CC3(C)C)O)C)=O
Metabolite of Species Details
Capsicum baccatum (NCBI:txid33114) See: PubMed
Capsicum annuum (NCBI:txid4072) See: PubMed
Asparagus officinalis (NCBI:txid4686) See: PubMed
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 5,6-epoxide (CHEBI:91165) has functional parent capsanthin (CHEBI:3375)
capsanthin 5,6-epoxide (CHEBI:91165) has role plant metabolite (CHEBI:76924)
capsanthin 5,6-epoxide (CHEBI:91165) is a carotenone (CHEBI:35310)
capsanthin 5,6-epoxide (CHEBI:91165) is a epoxycarotenol (CHEBI:35307)
IUPAC Name
(3S,3'S,5R,5'R,6S)-3,3'-dihydroxy-5,6-dihydro-5,6-epoxy-β,κ-caroten-6'-one
Synonym Source
(5R,6S)-5,6-epoxi-capsanthin UniProt
Manual Xrefs Databases
C00023035 KNApSAcK
CPD-7410 MetaCyc
HMDB0036588 HMDB
View more database links
Registry Numbers Types Sources
29486-21-3 CAS Registry Number KNApSAcK
4618987 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11032480 PubMed citation Europe PMC
11312889 PubMed citation Europe PMC
20460582 PubMed citation SUBMITTER
21535519 PubMed citation Europe PMC
IND20384816 Agricola citation Europe PMC
Last Modified
11 April 2016