Chemical Components in the PDB

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PRI : Summary

Code

PRI

One-letter code

X

Molecule name

PYRROLIDINE-2-CARBALDEHYDE

Synonyms

PROLINOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-pyrrolidine-2-carbaldehyde
OpenEye OEToolkits 1.5.0 (2S)-pyrrolidine-2-carbaldehyde

Formula

C5 H9 N O

Formal charge

0

Molecular weight

99.131 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC1NCCC1
SMILES CACTVS 3.341 O=C[CH]1CCCN1
SMILES OpenEye OEToolkits 1.5.0 C1CC(NC1)C=O
Canonical SMILES CACTVS 3.341 O=C[C@@H]1CCCN1
Canonical SMILES OpenEye OEToolkits 1.5.0 C1C[C@H](NC1)C=O

IUPAC InChI

InChI=1S/C5H9NO/c7-4-5-2-1-3-6-5/h4-6H,1-3H2/t5-/m0/s1

IUPAC InChI key

JIDDDPVQQUHACU-YFKPBYRVSA-N

Is part of

ZPR
PRI

wwPDB Information

Atom count

16 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-05-14

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned