Summary

IMPPAT Phytochemical identifier: IMPHY012215

Phytochemical name: Octadecanedioic acid

Synonymous chemical names:
octadecanedioic acid

External chemical identifiers:
CID:70095, ChEBI:133086, ZINC:ZINC000005178630, FDASRS:RSZ6PQ0QQJ, SureChEMBL:SCHEMBL35775, MolPort-001-783-903

---

Chemical structure information

SMILES:
OC(=O)CCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)

InChIKey:
BNJOQKFENDDGSC-UHFFFAOYSA-N

DeepSMILES:
OC=O)CCCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire 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: Dicarboxylic acids

NP-Likeness score: 0.256

---

Chemical structure download