Chemical Components in the PDB

pdbe.org/chem
spacer

6PZ : Summary

Code

6PZ

One-letter code

X

Molecule name

5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid

Synonyms

(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid
Pseudaminic acid
5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulosonic acid
5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-L-manno-non-2-ulosonic acid
5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-manno-non-2-ulosonic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid

Formula

C13 H22 N2 O8

Formal charge

0

Molecular weight

334.322 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=O)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 CC(C(C1C(C(CC(O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O
Canonical SMILES CACTVS 3.385 C[C@H](O)[C@H](NC(C)=O)[C@@H]1O[C@@](O)(C[C@H](O)[C@@H]1NC(C)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C[C@@H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C(=O)O)O)O)NC(=O)C)NC(=O)C)O

IUPAC InChI

InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1

IUPAC InChI key

ZJOSXOOPEBJBMC-LJRWBPDUSA-N
6PZ

wwPDB Information

Atom count

45 (23 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2016-05-19

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned