Summary

IMPPAT Phytochemical identifier: IMPHY003316

Phytochemical name: Pentadecanal

Synonymous chemical names:
1-pentadecanal, pentadecanal

External chemical identifiers:
CID:17697, ChEBI:17302, ZINC:ZINC000008217469, FDASRS:PXR39QX5Q7, SureChEMBL:SCHEMBL120108, MolPort-006-114-670

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCC=O

InChI:
InChI=1S/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3

InChIKey:
XGQJZNCFDLXSIJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCC=O

Functional groups:
CC=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 aldehydes

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 0.867

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Chemical structure download