Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000263

Phytochemical name: Lauric acid

Synonymous chemical names:
dodecanoic acid, dodecanoic acid (lauric acid), lauric, lauric (dodecanoic) acid, dodecanoicacid, lauric acid (dodecanoic acid), Lauric acid, n-dodecanoic acid, Lauric Acid, lauric-acid, lauric acid (c12), dodecanoic acid, lauric acid

External chemical identifiers:
CID:CID_3893, ChEMBL:CHEMBL108766, ChEBI:CHEBI:30805, ZINC:ZINC000001529498, FDASRS:1160N9NU9U, SureChEMBL:SCHEMBL5895, MolPort-000-881-524

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Chemical structure information

SMILES:
CCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)

InChIKey:
POULHZVOKOAJMA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-Osaka_Univ-OUF00300, MSBNK-Keio_Univ-KO001289, MSBNK-Keio_Univ-KO001288, MSBNK-Keio_Univ-KO001287, MSBNK-Keio_Univ-KO001286, MSBNK-Keio_Univ-KO001285, MSBNK-GL_Sciences_Inc-GLS00130, MSBNK-Athens_Univ-AU507904, MSBNK-Athens_Univ-AU507903, MSBNK-Athens_Univ-AU507902, MSBNK-Athens_Univ-AU507901, MSBNK-Antwerp_Univ-METOX_N105426_B8BB, MSBNK-Antwerp_Univ-METOX_N105426_9CB7, MSBNK-Athens_Univ-AU507905

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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: 0.495

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Chemical structure download