Chemical Components in the PDB

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5TX : Summary

Code

5TX

One-letter code

X

Molecule name

((3S,5S)-1,5-dihydroxy-3-methyl-2-oxopyrrolidin-3-yl)phosphonic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.4 [(3~{S},5~{S})-3-methyl-1,5-bis(oxidanyl)-2-oxidanylidene-pyrrolidin-3-yl]phosphonic acid

Formula

C5 H10 N O6 P

Formal charge

0

Molecular weight

211.11 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[C]1(C[CH](O)N(O)C1=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.4 CC1(CC(N(C1=O)O)O)P(=O)(O)O
Canonical SMILES CACTVS 3.385 C[C@@]1(C[C@H](O)N(O)C1=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 C[C@@]1(C[C@@H](N(C1=O)O)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C5H10NO6P/c1-5(13(10,11)12)2-3(7)6(9)4(5)8/h3,7,9H,2H2,1H3,(H2,10,11,12)/t3-,5-/m0/s1

IUPAC InChI key

VVBLYPMICKYZTP-UCORVYFPSA-N
5TX

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

2015-12-01

Last modified at

2016-11-18

Status

Released

Obsoleted

Not Assigned