Summary

IMPPAT Phytochemical identifier: IMPHY011512

Phytochemical name: Dihydroxyoctadecanoic acid

Synonymous chemical names:
dihydroxy stearic acid, dihydroxystearic acid, dihydroxystearic-acid

External chemical identifiers:
CID:20391236, ZINC:ZINC000100120617, SureChEMBL:SCHEMBL40287

---

Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(C(=O)O)(O)O

InChI:
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(21,22)17(19)20/h21-22H,2-16H2,1H3,(H,19,20)

InChIKey:
SXNBVULTHKFMNO-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCC=O)O))O)O

Functional groups:
CC(O)(O)C(=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: Hydroxy fatty acids

NP-Likeness score: 0.384

---

Chemical structure download