Summary

IMPPAT Phytochemical identifier: IMPHY005444

Phytochemical name: Ambrettolic acid

Synonymous chemical names:
ambrettolic acid, ambrettolic-acid

External chemical identifiers:
CID:5282940, SureChEMBL:SCHEMBL580356

---

Chemical structure information

SMILES:
OCCCCCCCC/C=C/CCCCCC(=O)O

InChI:
InChI=1S/C16H30O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h2,4,17H,1,3,5-15H2,(H,18,19)/b4-2+

InChIKey:
MKIFOPBVDBXRTO-DUXPYHPUSA-N

DeepSMILES:
OCCCCCCCC/C=C/CCCCCC=O)O

Functional groups:
C/C=C/C, CC(=O)O, CO

---

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: 1.065

---

Chemical structure download