Summary

IMPPAT Phytochemical identifier: IMPHY005402

Phytochemical name: 15-Methylhexadecanoic acid

Synonymous chemical names:
15-methyl-hexadecanoic-acid

External chemical identifiers:
CID:164860, ChEBI:70850, ZINC:ZINC000004557076, FDASRS:Z8I04ZY2JB, SureChEMBL:SCHEMBL346565, MolPort-003-958-803

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Chemical structure information

SMILES:
CC(CCCCCCCCCCCCCC(=O)O)C

InChI:
InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19)

InChIKey:
IIUXHTGBZYEGHI-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)O)))))))))))))))C

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

NP-Likeness score: 0.521

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Chemical structure download