CHEBI:34597 - (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-β-caroten-12'-al

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-β-caroten-12'-al
ChEBI ID CHEBI:34597
ChEBI ASCII Name (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-beta-caroten-12'-al
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C25H34O3
Net Charge 0
Average Mass 382.53570
Monoisotopic Mass 382.25079
InChI InChI=1S/C25H34O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,18,22,27H,16-17H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13+,21-11+/t22-,24+,25-/m0/s1
InChIKey CAXVJDRXJFKYQP-LKODNMENSA-N
SMILES C\C(C=O)=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
ChEBI Ontology
Outgoing (3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-β-caroten-12'-al (CHEBI:34597) is a 12'-apo-carotenal (CHEBI:51972)
IUPAC Name
(2E,4E,6E,8E,10E,12E)-13-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
Synonym Source
(3S,5R,6S)-5,6-epoxy-3-hydroxy-5,6-dihydro-12'-apo-β-caroten-12'-al UniProt
Manual Xref Database
C14045 KEGG COMPOUND
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Last Modified
14 July 2015