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CHEBI:91165 - capsanthin 5,6-epoxide

ChEBI IDCHEBI:91165
ChEBI Namecapsanthin 5,6-epoxide
Stars
DefinitionA epoxycarotenol that is capsanthin in which the 5,6-double bond has been epoxidised.
Last Modified11 April 2016
Submitternhn
DownloadsMolfile
FormulaC40H56O4
Net Charge0
Average Mass600.884
Monoisotopic Mass600.41786
SMILESCC(/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\[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
InChIInChI=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
InChIKeyQAILMWKAKHIIHL-CRBKEJBVSA-N
Species of MetaboliteComponentSourceComments
Capsicum annuum (ncbitaxon:4072) - PubMed (20460582)
Asparagus officinalis (ncbitaxon:4686) - PubMed (11032480)
Capsicum baccatum (ncbitaxon:33114) - PubMed (21535519)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
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
UniProt Name  Source
(5R,6S)-5,6-epoxi-capsanthinUniProt
Manual XrefsDatabases
C00023035KNApSAcK
HMDB0036588HMDB
CPD-7410MetaCyc
Registry NumbersSources
Reaxys:4618987Reaxys
CAS:29486-21-3KNApSAcK
Citations