Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018296

Phytochemical name: Margarate

Synonymous chemical names:
Margarate

External chemical identifiers:
CID:CID_4113470, ChEBI:CHEBI:32366

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCC(=O)[O-]

InChI:
InChI=1S/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h2-16H2,1H3,(H,18,19)/p-1

InChIKey:
KEMQGTRYUADPNZ-UHFFFAOYSA-M

DeepSMILES:
CCCCCCCCCCCCCCCCC=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 acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 0.101

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Chemical structure download