Chemical Components in the PDB

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MH6 : Summary

Code

MH6

One-letter code

S

Molecule name

3-hydroxy-2-iminopropanoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2E)-3-hydroxy-2-iminopropanoic acid
OpenEye OEToolkits 1.7.0 3-hydroxy-2-imino-propanoic acid

Formula

C3 H5 N O3

Formal charge

0

Molecular weight

103.077 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(=[N@H])CO
SMILES CACTVS 3.370 OCC(=N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C(C(=N)C(=O)O)O
Canonical SMILES CACTVS 3.370 OCC(=N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 [H]/N=C(\CO)/C(=O)O

IUPAC InChI

InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+

IUPAC InChI key

MUHXUPVPXJXCGV-DUXPYHPUSA-N
MH6

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

SER

Defined at

2008-03-11

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned