Chemical Components in the PDB

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0Y9 : Summary

Code

0Y9

One-letter code

X

Molecule name

(1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (1R,2S)-1-amino-2-ethenylcyclopropanecarboxylic acid
OpenEye OEToolkits 1.7.6 (1R,2S)-1-azanyl-2-ethenyl-cyclopropane-1-carboxylic acid

Formula

C6 H9 N O2

Formal charge

0

Molecular weight

127.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1(N)CC1\C=C
SMILES CACTVS 3.370 N[C]1(C[CH]1C=C)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C=CC1CC1(C(=O)O)N
Canonical SMILES CACTVS 3.370 N[C@@]1(C[C@H]1C=C)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C=C[C@@H]1C[C@@]1(C(=O)O)N

IUPAC InChI

InChI=1S/C6H9NO2/c1-2-4-3-6(4,7)5(8)9/h2,4H,1,3,7H2,(H,8,9)/t4-,6-/m1/s1

IUPAC InChI key

GALLMPFNVWUCGD-INEUFUBQSA-N

Is part of

1RR , L4T , L5T , 1X3 , 4P2
0Y9

wwPDB Information

Atom count

18 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2012-09-12

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned