Summary

IMPPAT Phytochemical identifier: IMPHY013853

Phytochemical name: 2-Hydroxydodecanoic acid

Synonymous chemical names:
hydroxylauric acid

External chemical identifiers:
CID:97783, ChEMBL:CHEMBL4278254, ChEBI:36211, FDASRS:62H8XD5QSU, SureChEMBL:SCHEMBL154529, MolPort-003-916-816

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Chemical structure information

SMILES:
CCCCCCCCCCC(C(=O)O)O

InChI:
InChI=1S/C12H24O3/c1-2-3-4-5-6-7-8-9-10-11(13)12(14)15/h11,13H,2-10H2,1H3,(H,14,15)

InChIKey:
YDZIJQXINJLRLL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)O))O

Functional groups:
CC(=O)O, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acids and conjugates

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty Acids and Conjugates

NP Classifier Class: Hydroxy fatty acids

NP-Likeness score: 1.046

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Chemical structure download