Chemical Components in the PDB

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XPC : Summary

Code

XPC

One-letter code

X

Molecule name

(3S,4R)-4-aminopyrrolidine-3-carboxylic acid

Synonyms

(3R,4S)-3-Aminopyrrolidine-4-carboxylic acid

Systematic names

ProgramVersionName
ACDLabs 12.01 (3S,4R)-4-aminopyrrolidine-3-carboxylic acid
OpenEye OEToolkits 1.7.0 (3S,4R)-4-azanylpyrrolidine-3-carboxylic acid

Formula

C5 H10 N2 O2

Formal charge

0

Molecular weight

130.145 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C1CNCC1N
SMILES CACTVS 3.370 N[CH]1CNC[CH]1C(O)=O
SMILES OpenEye OEToolkits 1.7.0 C1C(C(CN1)N)C(=O)O
Canonical SMILES CACTVS 3.370 N[C@H]1CNC[C@@H]1C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C1[C@@H]([C@H](CN1)N)C(=O)O

IUPAC InChI

InChI=1S/C5H10N2O2/c6-4-2-7-1-3(4)5(8)9/h3-4,7H,1-2,6H2,(H,8,9)/t3-,4-/m0/s1

IUPAC InChI key

RMNHPXDNGOBDOT-IMJSIDKUSA-N
XPC

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide-like

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2008-02-05

Last modified at

2021-03-13

Status

Released

Obsoleted

Not Assigned