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- ChemComp-PGM: 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] -

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ID or keywords:

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Basic information

EntryDatabase: PDB chemical components / ID: PGM
NameName: 1-myristoyl-2-hydroxy-sn-glycero-3-[phospho-rac-(1-glycerol)]
Synonyms: LYSOPHOSPHATIDYLGLYCEROL

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Chemical information

Composition
Formula: C22H44O9P / Number of atoms: 76 / Formula weight: 483.553 / Formal charge: -1
Others

1n89

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: PGM / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1N89
History
Create componentDec 12, 2002
Modify descriptorJun 4, 2011
Modify descriptorJan 5, 2012
Modify coordinatesJan 5, 2012
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Brenda / ChEBI / DrugBank / 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=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO
OpenEye OEToolkits 1.7.5CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O

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SMILES CANONICAL

CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO
OpenEye OEToolkits 1.7.5CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O

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InChI

InChI 1.03InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1

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InChIKey

InChI 1.03BVJSKAUUFXBDOB-SFTDATJTSA-M

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SYSTEMATIC NAME

ACDLabs 10.04(2S)-2,3-dihydroxypropyl (2S)-3-(hexadecanoyloxy)-2-hydroxypropyl phosphate
OpenEye OEToolkits 1.5.0[(2S)-2,3-dihydroxypropyl] [(2S)-3-hexadecanoyloxy-2-hydroxy-propyl] phosphate

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PDB entries

Showing all 3 items

PDB-1n89:
Solution structure of a liganded type 2 wheat non-specific Lipid Transfer Protein

PDB-1tuk:
Crystal structure of liganded type 2 non specific lipid transfer protein from wheat

PDB-5lqv:
Spatial structure of the lentil lipid transfer protein in complex with anionic lysolipid LPPG

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