Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID005009

Phytochemical name: Tripalmitin

Synonymous chemical names:
tripalmitin

External chemical identifiers:
CID:CID_11147, ChEMBL:CHEMBL2002154, ChEBI:CHEBI:77393, ZINC:ZINC000008214701, FDASRS:D133ZRF50U, SureChEMBL:SCHEMBL24941, MolPort-001-788-458

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC

InChI:
InChI=1S/C51H98O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-49(52)55-46-48(57-51(54)45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)47-56-50(53)44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h48H,4-47H2,1-3H3

InChIKey:
PVNIQBQSYATKKL-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCC=O)OCCOC=O)CCCCCCCCCCCCCCC))))))))))))))))))COC=O)CCCCCCCCCCCCCCC

Functional groups:
COC(C)=O

Link to spectral information:
MSBNK-Antwerp_Univ-METOX_N105122_E2CE, MSBNK-Chubu_Univ-UT000547, MSBNK-Antwerp_Univ-METOX_N105122_D7C8, MSBNK-Chubu_Univ-UT000561, MSBNK-Antwerp_Univ-METOX_N105116_CC60, MSBNK-Antwerp_Univ-METOX_N105116_9EE2, MSBNK-Antwerp_Univ-METOX_N105116_2347, MSBNK-Antwerp_Univ-METOX_N105122_02B7

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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: 0.232

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Chemical structure download