Chemical Components in the PDB

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MY0 : Summary

Code

MY0

One-letter code

X

Molecule name

(2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-4-[1-(carboxymethyl)hydrazinyl]-2-hydroxy-4-oxobutanoic acid
OpenEye OEToolkits 1.7.0 (2S)-4-[azanyl(carboxymethyl)amino]-2-hydroxy-4-oxo-butanoic acid

Formula

C6 H10 N2 O6

Formal charge

0

Molecular weight

206.153 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N(N)CC(=O)O)CC(O)C(=O)O
SMILES CACTVS 3.370 NN(CC(O)=O)C(=O)C[CH](O)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C(C(=O)O)O)C(=O)N(CC(=O)O)N
Canonical SMILES CACTVS 3.370 NN(CC(O)=O)C(=O)C[C@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@@H](C(=O)O)O)C(=O)N(CC(=O)O)N

IUPAC InChI

InChI=1S/C6H10N2O6/c7-8(2-5(11)12)4(10)1-3(9)6(13)14/h3,9H,1-2,7H2,(H,11,12)(H,13,14)/t3-/m0/s1

IUPAC InChI key

HVEULRKNJMQVQC-VKHMYHEASA-N

Is part of

M60
MY0

wwPDB Information

Atom count

24 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-11-08

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned