Summary
IMPPAT Phytochemical identifier: IMPPAT3_PHYID002891
Phytochemical name: Tricosanoic acid
Synonymous chemical names:Tricosanoic acid, tricosanoic acid
External chemical identifiers:CID:CID_17085, ChEMBL:CHEMBL1173462, ChEBI:CHEBI:42394, ZINC:ZINC000006920379, FDASRS:MUC9A0MS6V, SureChEMBL:SCHEMBL250860, MolPort-003-939-689
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCCC(=O)OInChI:
InChI=1S/C23H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25/h2-22H2,1H3,(H,24,25)InChIKey:
XEZVDURJDFGERA-UHFFFAOYSA-NDeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCC=O)OFunctional groups:
CC(=O)OLink to spectral information:
MSBNK-BS-BS003916, MSBNK-BS-BS003914, MSBNK-BS-BS003913, MSBNK-BS-BS003915, MSBNK-Antwerp_Univ-METOX_N109959_63A5, MSBNK-Antwerp_Univ-METOX_N109926_B8BB, MSBNK-Antwerp_Univ-METOX_N109926_9CB7, MSBNK-BS-BS003912
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: Unsaturated fatty acids
NP-Likeness score: 0.277
Chemical structure download
