phosphatidylserine   Click here for help

GtoPdb Ligand ID: 3638

Abbreviated name: PS
Synonyms: distearoylphosphatidylserine
Comment: The term 'phosphatidylserine' represents a class of compounds in which a phosphatidyl group is esterified to the hydroxy group of serine.The structure shown here is representative of the class. For more information, please see the relevant entry on ChEBI.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 181.49
Molecular weight 385.11
XLogP -3.49
No. Lipinski's rules broken 2
SMILES / InChI / InChIKey
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Canonical SMILES CCCC(=O)OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CC
Isomeric SMILES CCCC(=O)O[C@@H](COP(=O)(OC[C@@H](C(=O)O)N)O)COC(=O)CC
InChI InChI=1S/C13H24NO10P/c1-3-5-12(16)24-9(6-21-11(15)4-2)7-22-25(19,20)23-8-10(14)13(17)18/h9-10H,3-8,14H2,1-2H3,(H,17,18)(H,19,20)/t9-,10+/m1/s1
InChI Key UNJJBGNPUUVVFQ-ZJUUUORDSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-amino-3-[[(2R)-2-butanoyloxy-3-propanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Synonyms Click here for help
distearoylphosphatidylserine
Database Links Click here for help
ChEBI CHEBI:18303
DrugBank Ligand DB00144
GtoPdb PubChem SID 135651545
PubChem CID 6323481
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Wikipedia Phosphatidylserine