Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

HDL : Summary

Code

HDL

One-letter code

X

Molecule name

D-arabinohydroxamic acid

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(hydroxyamino)-D-lyxuronic acid
OpenEye OEToolkits 1.5.0 (2S,3R,4S)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxo-pentanoic acid

Formula

C5 H9 N O7

Formal charge

0

Molecular weight

195.127 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NO)C(O)C(O)C(O)C(=O)O
SMILES CACTVS 3.341 ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)NO)O)(C(C(=O)O)O)O
Canonical SMILES CACTVS 3.341 ONC(=O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 [C@@H]([C@@H](C(=O)NO)O)([C@@H](C(=O)O)O)O

IUPAC InChI

InChI=1S/C5H9NO7/c7-1(3(9)5(11)12)2(8)4(10)6-13/h1-3,7-9,13H,(H,6,10)(H,11,12)/t1-,2+,3+/m1/s1

IUPAC InChI key

DMGBHBFPSRKPBV-LAMMAJBHSA-N
HDL

wwPDB Information

Atom count

22 (13 without Hydrogen)

Polymer type

Saccharide

Type description

D-SACCHARIDE

Type code

ATOMS

Is modified

No

Standard parent

Not Assigned

Defined at

2009-05-26

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned