CHEBI:34596 - (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al
ChEBI ID CHEBI:34596
ChEBI ASCII Name (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-beta-caroten-12'-al
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
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)14-15-23-24(4,5)16-22(27)17-25(23,6)28/h7-14,18,22,27-28H,16-17H2,1-6H3/b8-7+,12-9+,19-10+,20-13+,21-11+/t15-,22-,25+/m0/s1
InChIKey MFDUGTOOXGORRX-AVKQGYMWSA-N
SMILES C\C(C=O)=C/C=C/C=C(\C)/C=C/C=C(\C)C=[C@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O
ChEBI Ontology
Outgoing (3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al (CHEBI:34596) is a 12'-apo-carotenal (CHEBI:51972)
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al (CHEBI:34596) is a allenes (CHEBI:37602)
IUPAC Name
(2E,4E,6E,8E,10E,12R)-13-[(1R,2R,4S)-2,4-dihydroxy-2,6,6-trimethylcyclohexylidene]-2,7,11-trimethyltrideca-2,4,6,8,10,12-hexaenal
Synonyms Sources
(3S,5R,6R)-3,5-dihydroxy-6,7-didehydro-5,6-dihydro-12'-apo-β-caroten-12'-al UniProt
C25-Allenic-apo-aldehyde KEGG COMPOUND
Manual Xref Database
C14044 KEGG COMPOUND
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Last Modified
16 January 2020