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CHEBI:27793 - β-carotene 5,6-epoxide

ChEBI IDCHEBI:27793
ChEBI Nameβ-carotene 5,6-epoxide
Stars
ASCII Namebeta-carotene 5,6-epoxide
DefinitionAn epoxycarotenoid of β-carotene.
Secondary ChEBI IDsCHEBI:10356, CHEBI:22835
Last Modified28 July 2014
DownloadsMolfile
FormulaC40H56O
Net Charge0
Average Mass552.887
Monoisotopic Mass552.43312
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C23OC2(C)CCCC3(C)C)C(C)(C)CCC1
InChIInChI=1S/C40H56O/c1-31(19-13-21-33(3)24-25-36-35(5)23-15-27-37(36,6)7)17-11-12-18-32(2)20-14-22-34(4)26-30-40-38(8,9)28-16-29-39(40,10)41-40/h11-14,17-22,24-26,30H,15-16,23,27-29H2,1-10H3/b12-11+,19-13+,20-14+,25-24+,30-26+,31-17+,32-18+,33-21+,34-22+
InChIKeyRVCRIPILOFSMFG-WWSVUWEKSA-N
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)
β-carotene 5,6-epoxide (CHEBI:27793) has functional parent β-carotene (CHEBI:17579)
β-carotene 5,6-epoxide (CHEBI:27793) has role plant metabolite (CHEBI:76924)
β-carotene 5,6-epoxide (CHEBI:27793) is a epoxycarotenoid (CHEBI:23043)
Incoming Relation(s)
(5S,6R)-β-carotene 5,6-epoxide (CHEBI:35309) is a β-carotene 5,6-epoxide (CHEBI:27793)
IUPAC Name 
5,6-epoxy-5,6-dihydro-β,β-carotene
Synonyms  Source
beta-Carotene 5,6-epoxideKEGG COMPOUND
5,6-epoxy-β,β-caroteneChemIDplus
Manual XrefsDatabases
C08587KEGG COMPOUND
LMPR01070267LIPID MAPS
C00003767KNApSAcK
Registry NumbersSources
Beilstein:65717Beilstein
Reaxys:65717Reaxys
CAS:1923-89-3KEGG COMPOUND
CAS:1923-89-3ChemIDplus
Citations