BioLiP

PDB

BioLiP

PDB CCD ID:

1LP

Number of entries in BioLiP:

Chemical formula:

C9 H10 O

InChI:

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

InChIKey:

IQVAERDLDAZARL-MRVPVSSYSA-N

SMILES:

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

Name:

TRANYLCYPROMINE;
(2S)-2-PHENYLPROPANAL

ZINC:

ZINC000002041189

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).