Chemical Components in the PDB

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VW0 : Summary

Code

VW0

One-letter code

X

Molecule name

(2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-[(2~{S},3~{R},4~{R},5~{S},6~{R})-3-acetamido-2,5-bis(oxidanyl)-6-(phosphonooxymethyl)oxan-4-yl]oxypropanoic acid

Formula

C11 H20 N O11 P

Formal charge

0

Molecular weight

373.25 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](O[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH](O)[CH]1NC(C)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CC(C(=O)O)OC1C(C(OC(C1O)COP(=O)(O)O)O)NC(=O)C
Canonical SMILES CACTVS 3.385 C[C@@H](O[C@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@H](O)[C@@H]1NC(C)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)COP(=O)(O)O)O)NC(=O)C

IUPAC InChI

InChI=1S/C11H20NO11P/c1-4(10(15)16)22-9-7(12-5(2)13)11(17)23-6(8(9)14)3-21-24(18,19)20/h4,6-9,11,14,17H,3H2,1-2H3,(H,12,13)(H,15,16)(H2,18,19,20)/t4-,6-,7-,8-,9-,11+/m1/s1

IUPAC InChI key

NMEMTQKUEVNSPV-MDMHTWEWSA-N
VW0

wwPDB Information

Atom count

44 (24 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-04-12

Last modified at

2023-09-15

Status

Released

Obsoleted

Not Assigned