EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:91143 - (3S,5R,6S)-β-cryptoxanthin 5,6-epoxide

ChEBI IDCHEBI:91143
ChEBI Name(3S,5R,6S)-β-cryptoxanthin 5,6-epoxide
Stars
ASCII Name(3S,5R,6S)-beta-cryptoxanthin 5,6-epoxide
DefinitionAn epoxycarotenol that β-cryptoxanthin in which the 5,6-double bond has been epoxidised.
Last Modified11 April 2016
Submitternhn
DownloadsMolfile
FormulaC40H56O2
Net Charge0
Average Mass568.886
Monoisotopic Mass568.42803
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H56O2/c1-30(18-13-20-32(3)23-24-36-34(5)22-15-26-37(36,6)7)16-11-12-17-31(2)19-14-21-33(4)25-27-40-38(8,9)28-35(41)29-39(40,10)42-40/h11-14,16-21,23-25,27,35,41H,15,22,26,28-29H2,1-10H3/b12-11+,18-13+,19-14+,24-23+,27-25+,30-16+,31-17+,32-20+,33-21+/t35-,39+,40-/m0/s1
InChIKeyCMOLUFWHADIFGS-VESOQFFVSA-N
Species of MetaboliteComponentSourceComments
Capsicum annuum var. annuum (ncbitaxon:40321) - PubMed (24065101)
Capsicum annuum (ncbitaxon:4072) - PubMed (8910532)
Pouteria sapota (ncbitaxon:233744) - PubMed (26057604)
Carica papaya (ncbitaxon:3649) - Article (IND20531516)
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)
(3S,5R,6S)-β-cryptoxanthin 5,6-epoxide (CHEBI:91143) has functional parent β-cryptoxanthin (CHEBI:10362)
(3S,5R,6S)-β-cryptoxanthin 5,6-epoxide (CHEBI:91143) has role plant metabolite (CHEBI:76924)
(3S,5R,6S)-β-cryptoxanthin 5,6-epoxide (CHEBI:91143) is a epoxycarotenol (CHEBI:35307)
IUPAC Name 
(3S,5R,6S)-5,6-dihydro-5,6-epoxy-β,β-caroten-3-ol
Synonyms  Source
cryptoxanthin-5,6-epoxideChEBI
β-cryptoxanthin 5,6-epoxideChEBI
UniProt Name  Source
(5R,6S)-5,6-epoxi-β-cryptoxanthinUniProt
Registry NumbersSources
Reaxys:6757251Reaxys
Citations