Chemical Components in the PDB

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1LP : Summary

Code

1LP

One-letter code

X

Molecule name

TRANYLCYPROMINE

Synonyms

(2S)-2-PHENYLPROPANAL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S)-2-phenylpropanal
OpenEye OEToolkits 1.5.0 (2S)-2-phenylpropanal

Formula

C9 H10 O

Formal charge

0

Molecular weight

134.175 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=CC(c1ccccc1)C
SMILES CACTVS 3.341 C[CH](C=O)c1ccccc1
SMILES OpenEye OEToolkits 1.5.0 CC(C=O)c1ccccc1
Canonical SMILES CACTVS 3.341 C[C@H](C=O)c1ccccc1
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](C=O)c1ccccc1

IUPAC InChI

InChI=1S/C9H10O/c1-8(7-10)9-5-3-2-4-6-9/h2-8H,1H3/t8-/m1/s1

IUPAC InChI key

IQVAERDLDAZARL-MRVPVSSYSA-N
1LP

wwPDB Information

Atom count

20 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-07-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned