lysophosphatidylserine   Click here for help

GtoPdb Ligand ID: 4064

Synonyms: lysophosphatidyl-L-serine | lysoPS
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 26
Topological polar surface area 175.42
Molecular weight 525.31
XLogP 3.48
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(OCC(C(=O)O)N)O)O
Isomeric SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(OC[C@@H](C(=O)O)N)O)O
InChI InChI=1S/C24H48NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26H,2-20,25H2,1H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
InChI Key ZPDQFUYPBVXUKS-YADHBBJMSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2S)-2-amino-3-[hydroxy-[(2R)-2-hydroxy-3-octadecanoyloxypropoxy]phosphoryl]oxypropanoic acid
Synonyms Click here for help
lysophosphatidyl-L-serine | lysoPS
Database Links Click here for help
ChEMBL Ligand CHEMBL582985
GtoPdb PubChem SID 178100887
PubChem CID 42607474
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Wikipedia Lysophosphatidylserine