Summary

IMPPAT Phytochemical identifier: IMPHY016139

Phytochemical name: 1-Hydroxyheptan-2-one

Synonymous chemical names:
1-hydroxy-2-heptanone

External chemical identifiers:
CID:12691664, SureChEMBL:SCHEMBL96582

---

Chemical structure information

SMILES:
CCCCCC(=O)CO

InChI:
InChI=1S/C7H14O2/c1-2-3-4-5-7(9)6-8/h8H,2-6H2,1H3

InChIKey:
GDVFVEWTCYWKGV-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CO

Functional groups:
CC(C)=O, CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty alcohols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 1.531

---

Chemical structure download