Chemical Components in the PDB

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KVM : Summary

Code

KVM

One-letter code

X

Molecule name

[(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 [(3S)-1-hydroxy-2,5-dioxopyrrolidin-3-yl]phosphonic acid
OpenEye OEToolkits 2.0.6 [(3~{S})-1-oxidanyl-2,5-bis(oxidanylidene)pyrrolidin-3-yl]phosphonic acid

Formula

C4 H6 N O6 P

Formal charge

0

Molecular weight

195.067 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OP(O)(=O)C1CC(N(O)C1=O)=O
SMILES CACTVS 3.385 ON1C(=O)C[CH](C1=O)[P](O)(O)=O
SMILES OpenEye OEToolkits 2.0.6 C1C(C(=O)N(C1=O)O)P(=O)(O)O
Canonical SMILES CACTVS 3.385 ON1C(=O)C[C@@H](C1=O)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@@H](C(=O)N(C1=O)O)P(=O)(O)O

IUPAC InChI

InChI=1S/C4H6NO6P/c6-3-1-2(12(9,10)11)4(7)5(3)8/h2,8H,1H2,(H2,9,10,11)/t2-/m0/s1

IUPAC InChI key

DIVWAHZZQUETIB-REOHCLBHSA-N
KVM

wwPDB Information

Atom count

18 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-01-18

Last modified at

2019-11-22

Status

Released

Obsoleted

Not Assigned