Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000072

Phytochemical name: Palmitic acid

Synonymous chemical names:
palmitc acid, hexadecanoic, n-hexadecanoic acid, palmitic acid (hexadecanoic acid), palmitic acid, hexadecanoic acid, palmitic-acid, hexadecanoic acid (palmitic acid), hexadecanoic acid*, Palmitic Acid, hexadecanoic acid (palmitic), palmitic acid, hexadecanoic-acid, palmitic acids, hexadecanoicacid, n- hexadecanoic acid, palmitic, palmitic (hexadecanoic) acid, palmistic acid, Palmitic acid, palmitate, hexadecanoic (palmitic) acid

External chemical identifiers:
CID:CID_985, ChEMBL:CHEMBL82293, ChEBI:CHEBI:15756, ZINC:ZINC000006072466, FDASRS:2V16EO95H1, SureChEMBL:SCHEMBL6177, MolPort-001-780-241

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)

InChIKey:
IPCSVZSSVZVIGE-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

Link to spectral information:
MSBNK-RIKEN-PR010202, MSBNK-BS-BS001078, MSBNK-BS-BS001077, MSBNK-BS-BS001076, MSBNK-BS-BS001075, MSBNK-BS-BS001074, MSBNK-Antwerp_Univ-METOX_N107227_9CB7, MSBNK-Antwerp_Univ-METOX_N107226_B8BB

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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: 0.385

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Chemical structure download