Chemical Components in the PDB

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1AC : Summary

Code

1AC

One-letter code

A

Molecule name

1-AMINOCYCLOPROPANECARBOXYLIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 1-aminocyclopropanecarboxylic acid
OpenEye OEToolkits 1.5.0 1-aminocyclopropane-1-carboxylic acid

Formula

C4 H7 N O2

Formal charge

0

Molecular weight

101.104 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C1(N)CC1
SMILES CACTVS 3.341 NC1(CC1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1CC1(C(=O)O)N
Canonical SMILES CACTVS 3.341 NC1(CC1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1CC1(C(=O)O)N

IUPAC InChI

InChI=1S/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)

IUPAC InChI key

PAJPWUMXBYXFCZ-UHFFFAOYSA-N
1AC

wwPDB Information

Atom count

14 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

2002-11-27

Last modified at

2011-08-17

Status

Released

Obsoleted

Not Assigned