Summary

IMPPAT Phytochemical identifier: IMPHY005664

Phytochemical name: Heptacosanoic acid

Synonymous chemical names:
heptacosanoic acid

External chemical identifiers:
CID:23524, ChEBI:78710, ZINC:ZINC000006921166, FDASRS:9J1CDT7DOJ, SureChEMBL:SCHEMBL17273169, MolPort-003-901-043

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C27H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29/h2-26H2,1H3,(H,28,29)

InChIKey:
VXZBFBRLRNDJCS-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCC=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: Unsaturated fatty acids

NP-Likeness score: 0.239

---

Chemical structure download