Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID010659

Phytochemical name: 11-Hydroxyundecanoic acid

Synonymous chemical names:
undecanoic acid, 11-hydroxy, 11-hydroxyundecanoic acid

External chemical identifiers:
CID:CID_77237, ChEBI:CHEBI:79126, ZINC:ZINC000002168567, SureChEMBL:SCHEMBL275368, MolPort-000-156-417

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Chemical structure information

SMILES:
OCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C11H22O3/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h12H,1-10H2,(H,13,14)

InChIKey:
KNRCBASNXNXUQQ-UHFFFAOYSA-N

DeepSMILES:
OCCCCCCCCCCC=O)O

Functional groups:
CO, CC(=O)O

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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: 0.699

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Chemical structure download