Summary

IMPPAT Phytochemical identifier: IMPHY002942

Phytochemical name: 3-Hydroxyoctanoic acid

Synonymous chemical names:
3-hydroxyoctanoic acid

External chemical identifiers:
CID:26613, ChEBI:37098, FDASRS:8M44B02CSJ, SureChEMBL:SCHEMBL112858, MolPort-003-941-649

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Chemical structure information

SMILES:
CCCCCC(CC(=O)O)O

InChI:
InChI=1S/C8H16O3/c1-2-3-4-5-7(9)6-8(10)11/h7,9H,2-6H2,1H3,(H,10,11)

InChIKey:
NDPLAKGOSZHTPH-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=O)O)))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic acids and derivatives

ClassyFire Class: Hydroxy acids and derivatives

ClassyFire Subclass: Medium-chain hydroxy acids and derivatives

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.461

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Chemical structure download