Summary
IMPPAT Phytochemical identifier: IMPHY001109
Phytochemical name: Isovaleric acid
Synonymous chemical names:3-methyl-butyric-acid, 3-methylbutanoic acid, 3-methylbutanoic acid, 3-methylbutyric acid, isovalerate, isovaleric, isovaleric acid, isovaleric acid, isovaleric-acid
External chemical identifiers:CID:10430, ChEMBL:CHEMBL568737, ChEBI:28484, ZINC:ZINC000000388188, FDASRS:1BR7X184L5, SureChEMBL:SCHEMBL43436, MolPort-000-871-620
Chemical structure information
SMILES:
CC(CC(=O)O)CInChI:
InChI=1S/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)InChIKey:
GWYFCOCPABKNJV-UHFFFAOYSA-NDeepSMILES:
CCCC=O)O)))CFunctional groups:
CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Fatty acids and conjugates
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty Acids and Conjugates
NP Classifier Class: Branched fatty acids
NP-Likeness score: 0.835
Chemical structure download