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BioLiP Library

PDB CCD ID: PSA
Number of entries in BioLiP: 0
Chemical formula: C11 H15 N O3
InChI: InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)/t9-,10-/m0/s1
InChIKey: JAJQQUQHMLWDFB-UWVGGRQHSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)CC(O)C(N)Cc1ccccc1
CACTVS 3.370N[CH](Cc1ccccc1)[CH](O)CC(O)=O
CACTVS 3.370N[C@@H](Cc1ccccc1)[C@@H](O)CC(O)=O
OpenEye OEToolkits 1.7.6c1ccc(cc1)C[C@@H]([C@H](CC(=O)O)O)N
OpenEye OEToolkits 1.7.6c1ccc(cc1)CC(C(CC(=O)O)O)N
Name:3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
ZINC: ZINC000002526314
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)(download the PDF file).
  • 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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