Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017913

Phytochemical name: 15-Hexadecenoic acid

Synonymous chemical names:
15-Hexadecenoic acid

External chemical identifiers:
CID:CID_11680418, Molport-049-216-792

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Chemical structure information

SMILES:
C=CCCCCCCCCCCCCCC(=O)O

InChI:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2H,1,3-15H2,(H,17,18)

InChIKey:
HVODZEXFHPAFHB-UHFFFAOYSA-N

DeepSMILES:
C=CCCCCCCCCCCCCCC=O)O

Functional groups:
C=CC, 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: Unsaturated fatty acids

NP-Likeness score: 0.741

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Chemical structure download