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- ChemComp-6UL: TETRACOSYL PALMITATE -

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Basic information

EntryDatabase: PDB chemical components / ID: 6UL
NameName: tetracosyl palmitate

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Chemical information

Composition
Formula: C40H80O2 / Number of atoms: 122 / Formula weight: 593.062 / Formal charge: 0
Others

2h26

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 6UL / Model coordinates PDB-ID: 2H26
History
Create componentMay 24, 2006
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Brenda / LipidMaps / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / 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 10.04O=C(OCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h3-39H2,1-2H3

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InChIKey

InChI 1.03KKTAIMZGSAQXRE-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.04tetracosyl hexadecanoate
OpenEye OEToolkits 1.5.0tetracosyl hexadecanoate

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PDB entries

Showing all 6 items

PDB-2h26:
human CD1b in complex with endogenous phosphatidylcholine and spacer

PDB-5fkp:
Crystal structure of the mouse CD1d in complex with the p99 peptide

PDB-5l2j:
Crystal Structure of human CD1b in complex with C36-GMM

PDB-5l2k:
Crystal structure of GEM42 TCR-CD1b-GMM complex

PDB-8dv3:
Crystal structure of human CD1b presenting Phosphatidylinositol C34:1

PDB-8glf:
Crystal Structure of Human CD1b in Complex with Sphingomyelin C34:2

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