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- ChemComp-XP4: 1,2-DIMYRISTOYL-SN-GLYCERO-3-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: XP4
NameName: 1,2-dimyristoyl-sn-glycero-3-phosphate
CommentDMPA, phospholipid*YM

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Chemical information

Composition
Formula: C31H60O8P / Number of atoms: 100 / Formula weight: 591.777 / Formal charge: -1
Others

1u4w

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: XP4 / Model coordinates PDB-ID: 1U4W
History
Create componentAug 2, 2004
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / PubChem / 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=P([O-])(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])OC(=O)CCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C31H61O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(32)37-27-29(28-38-40(34,35)36)39-31(33)26-24-22-20-18-16-14-12-10-8-6-4-2/h29H,3-28H2,1-2H3,(H2,34,35,36)/p-1/t29-/m1/s1

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InChIKey

InChI 1.03OZSITQMWYBNPMW-GDLZYMKVSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-2,3-bis(tetradecanoyloxy)propyl hydrogen phosphate
OpenEye OEToolkits 1.5.0[(2R)-2,3-di(tetradecanoyloxy)propyl] hydrogen phosphate

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