Chemical Components in the PDB

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MLM : Summary

Code

MLM

One-letter code

X

Molecule name

3-AMINO-3-OXOPROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 3-amino-3-oxopropanoic acid
OpenEye OEToolkits 1.5.0 3-amino-3-oxo-propanoic acid

Formula

C3 H5 N O3

Formal charge

0

Molecular weight

103.077 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)CC(=O)O
SMILES CACTVS 3.341 NC(=O)CC(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(=O)N)C(=O)O
Canonical SMILES CACTVS 3.341 NC(=O)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(C(=O)N)C(=O)O

IUPAC InChI

InChI=1S/C3H5NO3/c4-2(5)1-3(6)7/h1H2,(H2,4,5)(H,6,7)

IUPAC InChI key

CGJMROBVSBIBKP-UHFFFAOYSA-N
MLM

wwPDB Information

Atom count

12 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-12-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned