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BioLiP

PDB CCD ID: 1LP
Number of entries in BioLiP: 0
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:
SoftwareSMILES
CACTVS 3.341C[CH](C=O)c1ccccc1
ACDLabs 10.04O=CC(c1ccccc1)C
OpenEye OEToolkits 1.5.0CC(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, Peter L 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).

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