CHEBI:141852 - zealexin A1(1−)

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.
View more via ChEBI Ontology
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
Manual Xref Database
CPD-13573 MetaCyc
View more database links
Citation
Last Modified
06 September 2021