Summary

IMPPAT Phytochemical identifier: IMPHY002677

Phytochemical name: 7-Hydroxyheptanoic acid

Synonymous chemical names:
7-hydroxyheptanocic acid

External chemical identifiers:
CID:138016, ChEBI:79112, ZINC:ZINC000002384180, SureChEMBL:SCHEMBL28125, MolPort-002-497-880

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Chemical structure information

SMILES:
OCCCCCCC(=O)O

InChI:
InChI=1S/C7H14O3/c8-6-4-2-1-3-5-7(9)10/h8H,1-6H2,(H,9,10)

InChIKey:
PNAJBOZYCFSQDJ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCC=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: 0.978

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Chemical structure download