Chemical Components in the PDB

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PHD : Summary

Code

PHD

One-letter code

D

Molecule name

ASPARTYL PHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-oxo-O-phosphono-L-homoserine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-oxo-4-phosphonooxy-butanoic acid

Formula

C4 H8 N O7 P

Formal charge

0

Molecular weight

213.083 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(OP(=O)(O)O)CC(C(=O)O)N
SMILES CACTVS 3.341 N[CH](CC(=O)O[P](O)(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)C(=O)OP(=O)(O)O
Canonical SMILES CACTVS 3.341 N[C@@H](CC(=O)O[P](O)(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)/t2-/m0/s1

IUPAC InChI key

IXZNKTPIYKDIGG-REOHCLBHSA-N
PHD

wwPDB Information

Atom count

21 (13 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ASP

Defined at

1999-10-06

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned