Chemical Components in the PDB

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HYA : Summary

Code

HYA

One-letter code

X

Molecule name

2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (1Z,2S,3R)-N,2,3,4-tetrahydroxybutanimidic acid
OpenEye OEToolkits 1.5.0 (2S,3R)-N,2,3,4-tetrahydroxybutanimidic acid

Formula

C4 H9 N O5

Formal charge

0

Molecular weight

151.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 N(/O)=C(/O)C(O)C(O)CO
SMILES CACTVS 3.341 OC[CH](O)[CH](O)C(O)=NO
SMILES OpenEye OEToolkits 1.5.0 C(C(C(C(=NO)O)O)O)O
Canonical SMILES CACTVS 3.341 OC[C@@H](O)[C@H](O)\C(O)=N\O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@@H](/C(=N/O)/O)O)O)O

IUPAC InChI

InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3+/m1/s1

IUPAC InChI key

SJYJPXDRLWCEKB-GBXIJSLDSA-N
HYA

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned