Chemical Components in the PDB

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SVA : Summary

Code

SVA

One-letter code

S

Molecule name

SERINE VANADATE

Systematic names

ProgramVersionName
ACDLabs 10.04 For multi-component charged structures, a total zero charge is required!
OpenEye OEToolkits 1.5.0 [(2S)-2-amino-3-hydroxy-3-oxo-propoxy]-hydroxy-trioxido-vanadium

Formula

C3 H7 N O7 V

Formal charge

-3

Molecular weight

220.032 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H6NO3.H2O.3O.V/c4-2(1-5)3(6)7;;;;;/h2H,1,4H2,(H,6,7);1H2;;;;/q-1;;3*-1;+2/p-1/t2-;;;;;/m0...../s1

IUPAC InChI key

SYKYEBJDHHGBFL-PUAMRSTPSA-M
SVA

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

1999-07-08

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned