Chemical Components in the PDB

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UGC : Summary

Code

UGC

One-letter code

X

Molecule name

(2S)-(carbamoylamino)(hydroxy)ethanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-(carbamoylamino)(hydroxy)ethanoic acid
OpenEye OEToolkits 1.7.6 (2S)-2-(aminocarbonylamino)-2-oxidanyl-ethanoic acid

Formula

C3 H6 N2 O4

Formal charge

0

Molecular weight

134.091 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)NC(=O)N
SMILES CACTVS 3.385 NC(=O)N[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(=O)O)(NC(=O)N)O
Canonical SMILES CACTVS 3.385 NC(=O)N[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 [C@H](C(=O)O)(NC(=O)N)O

IUPAC InChI

InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1

IUPAC InChI key

NWZYYCVIOKVTII-SFOWXEAESA-N
UGC

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2014-04-09

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned