glycerol 3-phosphate   

GtoPdb Ligand ID: 4740

2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 4
Topological polar surface area 117.03
Molecular weight 172.01
XLogP -3.11
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OCC(COP(=O)(O)O)O
Isomeric SMILES OCC(COP(=O)(O)O)O
InChI InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
InChI Key AWUCVROLDVIAJX-UHFFFAOYSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(2,3-dihydroxypropoxy)phosphonic acid
Database Links
CAS Registry No. 57-03-4 (source: Scifinder)
ChEBI CHEBI:14336
ChEMBL Ligand CHEMBL358320
GtoPdb PubChem SID 178101451
PubChem CID 754
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