Chemical Components in the PDB

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F9D : Summary

Code

F9D

One-letter code

X

Molecule name

(2R)-2-aminopent-4-ynoic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R)-2-aminopent-4-ynoic acid
OpenEye OEToolkits 2.0.6 (2~{R})-2-azanylpent-4-ynoic acid

Formula

C5 H7 N O2

Formal charge

0

Molecular weight

113.115 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C(=O)(O)C(N)CC#C
SMILES CACTVS 3.385 N[CH](CC#C)C(O)=O
SMILES OpenEye OEToolkits 2.0.6 C#CCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 N[C@H](CC#C)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.6 C#CC[C@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)/t4-/m1/s1

IUPAC InChI key

DGYHPLMPMRKMPD-SCSAIBSYSA-N
F9D

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

D-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2018-03-16

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned