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- ChemComp-PX2: 1,2-DILAUROYL-SN-GLYCERO-3-PHOSPHATE -

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Basic information

EntryDatabase: PDB chemical components / ID: PX2
NameName: 1,2-dilauroyl-sn-glycero-3-phosphate

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Chemical information

Composition
Formula: C27H52O8P / Number of atoms: 88 / Formula weight: 535.671 / Formal charge: -1
OthersType: NON-POLYMER / PDB classification: HETAIN / Three letter code: PX2
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)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCC(=O)OC[CH](CO[P](O)([O-])=O)OC(=O)CCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCCCCCCC

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SMILES CANONICAL

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

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InChI

InChI 1.03InChI=1S/C27H53O8P/c1-3-5-7-9-11-13-15-17-19-21-26(28)33-23-25(24-34-36(30,31)32)35-27(29)22-20-18-16-14-12-10-8-6-4-2/h25H,3-24H2,1-2H3,(H2,30,31,32)/p-1/t25-/m1/s1

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InChIKey

InChI 1.03OKLASJZQBDJAPH-RUZDIDTESA-M

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SYSTEMATIC NAME

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

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