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- ChemComp-4RF: Tripalmitoylglycerol -

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Basic information

EntryDatabase: PDB chemical components / ID: 4RF
NameName: Tripalmitoylglycerol / Synonyms: propane-1,2,3-triyl trihexadecanoate

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Chemical information

Composition
Formula: C51H98O6 / Number of atoms: 155 / Formula weight: 807.32 / Formal charge: 0
Others

4zra

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 4RF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4ZRA
History
Create componentMay 14, 2015
Initial releaseFeb 10, 2016
Modify synonymsMar 13, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / HMDB / LipidMaps / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / SwissLipids / ZINC / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01C(CCCCCCCCC)CCCCCC(OCC(OC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCCCCCCCCCC)=O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.9.2CCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=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

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InChIKey

InChI 1.03PVNIQBQSYATKKL-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 12.01propane-1,2,3-triyl trihexadecanoate
OpenEye OEToolkits 1.9.22,3-di(hexadecanoyloxy)propyl hexadecanoate

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