zealexin A1(1-) (CHEBI:141852)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	zealexin A1(1−)

ChEBI ID	CHEBI:141852

ChEBI ASCII Name	zealexin A1(1-)

Definition	A monocarboxylic acid anion resulting forom the deprotonation of the carboxy group of zealexin A1. The major speciess at pH 7.3.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

more structures >>

Formula

C15H21O2

Net Charge

-1

Average Mass

233.327

Monoisotopic Mass

233.15470

InChI

InChI=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

InChIKey

IQKSHFZTCNUYOT-LLVKDONJSA-M

SMILES

C1(C([O-])=O)=CC[C@@](C=2CC(CCC2)(C)C)(CC1)[H]

Roles Classification
Biological Role(s):	phytoalexin A toxin made by a plant that acts against an organism attacking it.

ChEBI Ontology
Outgoing	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	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

Synonyms	Sources
(4S)-4-(5,5-dimethylcyclohex-1-en-1-yl)-cyclohex-1-ene-1-carboxylate	MetaCyc
zealexin A1	UniProt

Citation	Type	Source
26471326	PubMed citation	SUBMITTER

Last Modified

06 September 2021