CHEBI:91130 - 2-trans-(+)-abscisic aldehyde

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-trans-(+)-abscisic aldehyde
ChEBI ID CHEBI:91130
ChEBI ASCII Name 2-trans-(+)-abscisic aldehyde
Definition An enal that is (+)-abscisic aldehyde in which the double bonds at position 2 and 4 have trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C15H20O3
Net Charge 0
Average Mass 248.318
Monoisotopic Mass 248.14124
InChI InChI=1S/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3/b7-5+,11-6+/t15-/m1/s1
InChIKey RIKWDZWVHUIUAM-SQGBXOFWSA-N
SMILES [C@]1(/C=C/C(=C/C([H])=O)/C)(O)C(C)=CC(CC1(C)C)=O
ChEBI Ontology
Outgoing 2-trans-(+)-abscisic aldehyde (CHEBI:91130) is a apo carotenoid sesquiterpenoid (CHEBI:36758)
2-trans-(+)-abscisic aldehyde (CHEBI:91130) is a cyclohexenones (CHEBI:48953)
2-trans-(+)-abscisic aldehyde (CHEBI:91130) is a enal (CHEBI:51688)
2-trans-(+)-abscisic aldehyde (CHEBI:91130) is a enone (CHEBI:51689)
IUPAC Name
(2E,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienal
Synonyms Sources
(+)-trans-abscisic acid aldehyde MetaCyc
(+)-trans-abscisic aldehyde MetaCyc
(2E,4E)-(+)-abscisic aldehyde SUBMITTER
(E,E)-(+)-abscisic aldehyde ChEBI
(E,E)-abscisic aldehyde ChEBI
2-trans,4-trans-(+)-abscisic aldehyde SUBMITTER
2-trans-(+)-abscisic aldehyde UniProt
Manual Xref Database
CPD-14385 MetaCyc
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Registry Number Type Source
2506042 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12172025 PubMed citation SUBMITTER
Last Modified
08 April 2016