Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003520

Phytochemical name: Trimyristin

Synonymous chemical names:
glyceryl trimyristate, Glyceryl trimyristate, trimyristin, Myristin, myristin, trymyristin

External chemical identifiers:
CID:CID_11148, ChEBI:CHEBI:77391, ZINC:ZINC000085591205, FDASRS:18L31PSR28, SureChEMBL:SCHEMBL112641, MolPort-001-779-776

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Chemical structure information

SMILES:
CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC

InChI:
InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3

InChIKey:
DUXYWXYOBMKGIN-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCC))))))))))))))))COC=O)CCCCCCCCCCCCC

Functional groups:
COC(C)=O

Link to spectral information:
MSBNK-Antwerp_Univ-METOX_N105016_2347, MSBNK-Antwerp_Univ-METOX_N105016_9EE2, MSBNK-Antwerp_Univ-METOX_N105017_CC60, MSBNK-Antwerp_Univ-METOX_N105021_02B7, MSBNK-Antwerp_Univ-METOX_N105022_D7C8, MSBNK-Antwerp_Univ-METOX_N105022_E2CE

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Glycerolipids

ClassyFire Subclass: Triradylcglycerols

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Glycerolipids

NP Classifier Class: Triacylglycerols

NP-Likeness score: 0.26

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Chemical structure download