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- ChemComp-EKG: (2R)-2,3-dihydroxypropyl hexadecanoate -

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Basic information

EntryDatabase: PDB chemical components / ID: EKG
NameName: (2R)-2,3-dihydroxypropyl hexadecanoate

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Chemical information

Composition
Formula: C19H38O4 / Number of atoms: 61 / Formula weight: 330.503 / Formal charge: 0
Others

6c09

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EKG / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6C09
History
Create componentJan 17, 2018
Initial releaseMar 21, 2018
External linksUniChem / ChemSpider / 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 12.01CCCCCCCCCCCCCCCC(=O)OCC(CO)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(CO)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)O

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InChI

InChI 1.03InChI=1S/C19H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)23-17-18(21)16-20/h18,20-21H,2-17H2,1H3/t18-/m1/s1

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InChIKey

InChI 1.03QHZLMUACJMDIAE-GOSISDBHSA-N

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SYSTEMATIC NAME

ACDLabs 12.01(2R)-2,3-dihydroxypropyl hexadecanoate
OpenEye OEToolkits 2.0.6[(2~{R})-2,3-bis(oxidanyl)propyl] hexadecanoate

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PDB entries

Showing all 6 items

PDB-6c09:
Ternary crystal structure of the 3C8 TCR-CD1c-monoacylglycerol complex

PDB-6lah:
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylcholine

PDB-6lam:
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with lysophosphatidylethanolamine

PDB-6lb2:
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*098 complexed with mono-acyl glycerol

PDB-6lt6:
Crystal structure of rhesus macaque MHC class I molecule Mamu-B*05104 complexed with lysophosphatidylcholine

PDB-9ohx:
CD1c presenting endogenous lipids

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