Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007421

Phytochemical name: Glyceryl monooleate

Synonymous chemical names:
Monoolein, monoolein, glyceryl monooleate

External chemical identifiers:
CID:CID_5283468, ChEMBL:CHEMBL428593, ChEBI:CHEBI:75342, FDASRS:D3AEF6S35P, SureChEMBL:SCHEMBL15603, MolPort-003-849-693

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Chemical structure information

SMILES:
CCCCCCCC/C=C\CCCCCCCC(=O)OCC(CO)O

InChI:
InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-

InChIKey:
RZRNAYUHWVFMIP-KTKRTIGZSA-N

DeepSMILES:
CCCCCCCC/C=C\CCCCCCCC=O)OCCCO))O

Functional groups:
C/C=C\C, COC(C)=O, CO

Link to spectral information:
MSBNK-Antwerp_Univ-METOX_N106554_5C2A, MSBNK-Antwerp_Univ-METOX_N106533_D0B8, MSBNK-Antwerp_Univ-METOX_N106533_3B51, MSBNK-Antwerp_Univ-METOX_N106532_187B, MSBNK-Antwerp_Univ-METOX_N106518_2347, MSBNK-Antwerp_Univ-METOX_N106518_9EE2, MSBNK-Antwerp_Univ-METOX_N106512_E098, MSBNK-Antwerp_Univ-METOX_N106512_1273, MSBNK-Antwerp_Univ-METOX_N106518_CC60

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Monoradylglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Monoacylglycerols

NP-Likeness score: 1.068

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Chemical structure download