(R)-5-phosphomevalonate   

GtoPdb Ligand ID: 3046

Synonyms: mevalonate-5-phosphate | mevalonate-5P | mevalonate-P
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 134.1
Molecular weight 228.04
XLogP -2.08
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)CC(CCOP(=O)(O)O)(O)C
Isomeric SMILES OC(=O)C[C@@](CCOP(=O)(O)O)(O)C
InChI InChI=1S/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)/t6-/m1/s1
InChI Key OKZYCXHTTZZYSK-ZCFIWIBFSA-N
Classification
Compound class Metabolite or derivative
IUPAC Name
(3R)-3-hydroxy-3-methyl-5-phosphonooxypentanoic acid
Synonyms
mevalonate-5-phosphate | mevalonate-5P | mevalonate-P
Database Links
CAS Registry No. 73566-35-5 (source: Scifinder)
ChEBI CHEBI:17436
GtoPdb PubChem SID 135651555
PubChem CID 439400
RCSB PDB Ligand PMV
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