MSOPPE   Click here for help

GtoPdb Ligand ID: 1440

Synonyms: alpha-methylserine-O-phosphate monophenyl ester
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 128.89
Molecular weight 275.06
XLogP -2.64
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OC(=O)C(COP(=O)(Oc1ccccc1)O)(N)C
Isomeric SMILES OC(=O)C(COP(=O)(Oc1ccccc1)O)(N)C
InChI InChI=1S/C10H14NO6P/c1-10(11,9(12)13)7-16-18(14,15)17-8-5-3-2-4-6-8/h2-6H,7,11H2,1H3,(H,12,13)(H,14,15)
InChI Key GBCGDIQJCHNFKA-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
2-amino-3-(hydroxy-(phenoxy)phosphoryl)oxy-2-methylpropanoic acid
Synonyms Click here for help
alpha-methylserine-O-phosphate monophenyl ester
Database Links Click here for help
ChEMBL Ligand CHEMBL1609272
GtoPdb PubChem SID 135650669
PubChem CID 5311463
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UniChem Connectivity Search for chemical match using the InChIKey GBCGDIQJCHNFKA-UHFFFAOYSA-N