Chemical Components in the PDB

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VTB : Summary

Code

VTB

One-letter code

X

Molecule name

7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose

Synonyms

[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
7-O-phosphono-alpha-L-galacto-hept-2-ulose
7-O-phosphono-L-galacto-hept-2-ulose
7-O-phosphono-galacto-hept-2-ulose

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

Formula

C7 H15 O10 P

Formal charge

0

Molecular weight

290.162 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C(C1C(C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O
Canonical SMILES CACTVS 3.385 OC[C@@]1(O)O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O

IUPAC InChI

InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1

IUPAC InChI key

CBIDVWSRUUODHL-CXNFULCWSA-N
VTB

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Saccharide

Type description

L-saccharide, alpha linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2015-06-19

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned