Summary

IMPPAT Phytochemical identifier: IMPHY012162

Phytochemical name: 1,2,4-Butanetriol

Synonymous chemical names:
1,2,4-butanetriol

External chemical identifiers:
CID:18302, ChEMBL:CHEMBL1356759, ChEBI:88063, FDASRS:NK798C370H, SureChEMBL:SCHEMBL29798, MolPort-002-501-607

---

Chemical structure information

SMILES:
OCCC(CO)O

InChI:
InChI=1S/C4H10O3/c5-2-1-4(7)3-6/h4-7H,1-3H2

InChIKey:
ARXKVVRQIIOZGF-UHFFFAOYSA-N

DeepSMILES:
OCCCCO))O

Functional groups:
CO

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 2.068

---

Chemical structure download