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- ChemComp-LHG: 1,2-DIPALMITOYL-PHOSPHATIDYL-GLYCEROLE -

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Basic information

EntryDatabase: PDB chemical components / ID: LHG
NameName: 1,2-dipalmitoyl-phosphatidyl-glycerole
WikipediaWikipedia - Phosphatidylglycerol: Phosphatidylglycerol is a glycerophospholipid found in pulmonary surfactant and in the plasma membrane where it directly activates lipid-gated ion channels.

The general structure of phosphatidylglycerol consists of a L-glycerol 3-phosphate backbone ester-bonded to either saturated or unsaturated fatty acids on carbons 1 and 2. The head group substituent glycerol is bonded through a phosphomonoester...

Commentphospholipid*YM

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Chemical information

Composition
Formula: C38H75O10P / Number of atoms: 124 / Formula weight: 722.97 / Formal charge: 0
Others

1jb0

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LHG / Model coordinates PDB-ID: 1JB0
History
Create componentJun 25, 2001
Modify descriptorJun 4, 2011
External linksUniChem / ChEBI / HMDB / LipidMaps / Metabolights / Nikkaji / PubChem / ZINC / 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 10.04O=C(OC(COP(=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)OC(=O)CCCCCCCCCCCCCCC

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SMILES CANONICAL

CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OC[C@H](CO)O)OC(=O)CCCCCCCCCCCCCCC

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InChI

InChI 1.03InChI=1S/C38H75O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(41)45-33-36(34-47-49(43,44)46-32-35(40)31-39)48-38(42)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-36,39-40H,3-34H2,1-2H3,(H,43,44)/t35-,36+/m0/s1

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InChIKey

InChI 1.03BIABMEZBCHDPBV-MPQUPPDSSA-N

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SYSTEMATIC NAME

ACDLabs 10.04(2R)-3-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}propane-1,2-diyl dihexadecanoate
OpenEye OEToolkits 1.5.0[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxy-phosphoryl]oxy-2-hexadecanoyloxy-propyl] hexadecanoate

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