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CHEBI:141852 - zealexin A1(1−)

ChEBI IDCHEBI:141852
ChEBI Namezealexin A1(1−)
Stars
ASCII Namezealexin A1(1-)
DefinitionA monocarboxylic acid anion resulting forom the deprotonation of the carboxy group of zealexin A1. The major speciess at pH 7.3.
Last Modified6 September 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H21O2
Net Charge-1
Average Mass233.331
Monoisotopic Mass233.15470
SMILES[H][C@@]1(C2=CCCC(C)(C)C2)CC=C(C(=O)[O-])CC1
InChIInChI=1S/C15H22O2/c1-15(2)9-3-4-13(10-15)11-5-7-12(8-6-11)14(16)17/h4,7,11H,3,5-6,8-10H2,1-2H3,(H,16,17)/p-1/t11-/m1/s1
InChIKeyIQKSHFZTCNUYOT-LLVKDONJSA-M
Roles Classification
Biological Role:
phytoalexin  A toxin made by a plant that acts against an organism attacking it.
ChEBI Ontology
Outgoing Relation(s)
zealexin A1(1−) (CHEBI:141852) has role phytoalexin (CHEBI:26115)
zealexin A1(1−) (CHEBI:141852) is a monocarboxylic acid anion (CHEBI:35757)
zealexin A1(1−) (CHEBI:141852) is conjugate base of zealexin A1 (CHEBI:142278)
Incoming Relation(s)
zealexin A1 (CHEBI:142278) is conjugate acid of zealexin A1(1−) (CHEBI:141852)
IUPAC Name 
(1S)-5',5'-dimethyl[1,1'-bi(cyclohexane)-1',3-diene]-4-carboxylate
Synonym  Source
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylateMetaCyc
UniProt Name  Source
zealexin A1UniProt
Manual XrefsDatabases
CPD-13573MetaCyc
Citations