D-serine   Click here for help

GtoPdb Ligand ID: 4171

PDB Ligand
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 83.55
Molecular weight 105.04
XLogP -3.96
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(C(=O)O)N
Isomeric SMILES OC[C@H](C(=O)O)N
InChI InChI=1S/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)/t2-/m1/s1
InChI Key MTCFGRXMJLQNBG-UWTATZPHSA-N
Classification Click here for help
Compound class Metabolite or derivative
IUPAC Name Click here for help
(2R)-2-amino-3-hydroxypropanoic acid
Database Links Click here for help
CAS Registry No. 312-84-5 (source: Scifinder)
ChEBI CHEBI:16523
ChEMBL Ligand CHEMBL285123
DrugBank Ligand DB03929
GtoPdb PubChem SID 178100991
PubChem CID 71077
RCSB PDB Ligand DSN
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Tocris
D-Serine
Cat. No. 0226