Chemical Components in the PDB

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4TP : Summary

Code

4TP

One-letter code

X

Molecule name

4-HYDROXY-L-THREONINE-5-MONOPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 10.04 4-(phosphonooxy)-L-threonine
OpenEye OEToolkits 1.5.0 (2S,3S)-2-amino-3-hydroxy-4-phosphonooxy-butanoic acid

Formula

C4 H10 N O7 P

Formal charge

0

Molecular weight

215.098 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/t2-,3+/m1/s1

IUPAC InChI key

FKHAKIJOKDGEII-GBXIJSLDSA-N
4TP

wwPDB Information

Atom count

23 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-27

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned