PDB Chemical Component PDI

Ideal Model

Chemical Description

Name PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER
Formula C3 H9 O5 P
Formal charge 0
Molecular weight 156.074 g/mol
Component type NON-POLYMER

Chemical features

Atom count 18
Chiral atom count 0
Bond count 17
Aromatic bond count 0

Chemical Identifiers

Systematic name (ACDLabs) 3-hydroxypropyl dihydrogen phosphate
Systematic name (OpenEye OEToolkits) 3-hydroxypropyl dihydrogen phosphate

Chemical Descriptors

Stereo SMILES (CACTVS) OCCCO[P](O)(O)=O
SMILES (CACTVS) OCCCO[P](O)(O)=O
Stereo SMILES (OpenEye) C(CO)COP(=O)(O)O
InChI descriptor InChI=1/C3H9O5P/c4-2-1-3-8-9(5,6)7/h4H,1-3H2,(H2,5,6,7)/f/h5-6H
InChIKey descriptor HYCSHFLKPSMPGO-JYEHRPOACT

Status Information

Last modified 2008-10-14
Created 2000-03-08
Release status REL
Model PDB code 1EJZ
Processing site EBI