Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000261

Phytochemical name: Decanoic acid

Synonymous chemical names:
Decanoic acid, decanoicacid, capric acid (c10), decanoic acid*, capric-acid, capric, capric (decanoic) acid, decanoic acidti, decylic acid, decanoic, decanoic acid, n-capric acid, capric acid, Capric Acid, n-decanoic acid, decanoic acid (capric acid)

External chemical identifiers:
CID:CID_2969, ChEMBL:CHEMBL107498, ChEBI:CHEBI:30813, ZINC:ZINC000001529229, FDASRS:4G9EDB6V73, SureChEMBL:SCHEMBL2682, MolPort-000-881-523

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Chemical structure information

SMILES:
CCCCCCCCCC(=O)O

InChI:
InChI=1S/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)

InChIKey:
GHVNFZFCNZKVNT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Keio_Univ-KO000630, MSBNK-Keio_Univ-KO000633, MSBNK-Keio_Univ-KO000632, MSBNK-Keio_Univ-KO000631, MSBNK-Keio_Univ-KO000629, MSBNK-Antwerp_Univ-METOX_N103427_9C9C, MSBNK-BS-BS003870, MSBNK-BS-BS003869, MSBNK-Antwerp_Univ-METOX_N103426_B8BB, MSBNK-Antwerp_Univ-METOX_N103426_9CB7, MSBNK-BS-BS003871

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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: Branched fatty acids, Unsaturated fatty acids

NP-Likeness score: 0.578

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Chemical structure download