Summary

IMPPAT Phytochemical identifier: IMPHY002667

Phytochemical name: Pentadecanoic acid

Synonymous chemical names:
n-pentadecanoic acid, penta-decanoic, pentadecanoic acid, pentadecanoic acid, pentadecanoic(palmitic)acid, pentadecanoicacid, pentadecyclic acid, pentadecylic acid, pentadecylic acid (c15)

External chemical identifiers:
CID:13849, ChEMBL:CHEMBL460025, ChEBI:42504, ZINC:ZINC000030731069, FDASRS:CCW02D961F, SureChEMBL:SCHEMBL6311, MolPort-001-792-028

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17/h2-14H2,1H3,(H,16,17)

InChIKey:
WQEPLUUGTLDZJY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=O)O

Functional groups:
CC(=O)O

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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: 0.408

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Chemical structure download