Summary
IMPPAT Phytochemical identifier: IMPHY009513
Phytochemical name: Tridecanoic acid
Synonymous chemical names:tri-decanoic, tridecanoic acid, tridecanoicacid
External chemical identifiers:CID:12530, ChEMBL:CHEMBL107874, ChEBI:45919, ZINC:ZINC000001628119, FDASRS:19936LIY2V, SureChEMBL:SCHEMBL22778, MolPort-001-780-047
Chemical structure information
SMILES:
CCCCCCCCCCCCC(=O)OInChI:
InChI=1S/C13H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3,(H,14,15)InChIKey:
SZHOJFHSIKHZHA-UHFFFAOYSA-NDeepSMILES:
CCCCCCCCCCCCC=O)OFunctional 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, Unsaturated fatty acids
NP-Likeness score: 0.462
Chemical structure download