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

ChEBI IDCHEBI:91130
ChEBI Name2-trans-(+)-abscisic aldehyde
Stars
ASCII Name2-trans-(+)-abscisic aldehyde
DefinitionAn enal that is (+)-abscisic aldehyde in which the double bonds at position 2 and 4 have trans-configuration.
Last Modified8 April 2016
Submitternhn
DownloadsMolfile
FormulaC15H20O3
Net Charge0
Average Mass248.322
Monoisotopic Mass248.14124
SMILES[H]C(=O)/C=C(C)/C=C/[C@@]1(O)C(C)=CC(=O)CC1(C)C
InChIInChI=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
InChIKeyRIKWDZWVHUIUAM-SQGBXOFWSA-N
ChEBI Ontology
Outgoing Relation(s)
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  Source
2-trans,4-trans-(+)-abscisic aldehydeSUBMITTER
(2E,4E)-(+)-abscisic aldehydeSUBMITTER
(+)-trans-abscisic aldehydeMetaCyc
(+)-trans-abscisic acid aldehydeMetaCyc
(E,E)-(+)-abscisic aldehydeChEBI
(E,E)-abscisic aldehydeChEBI
UniProt Name  Source
2-trans-(+)-abscisic aldehydeUniProt
Manual XrefsDatabases
CPD-14385MetaCyc
Registry NumbersSources
Reaxys:2506042Reaxys
Citations