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BioLiP

PDB CCD ID: KIK
Number of entries in BioLiP: 8
Chemical formula: C5 H9 N O2
InChI: InChI=1S/C5H9NO2/c1-2-5(8)4(6)3-7/h2,4,7H,1,3,6H2/t4-/m0/s1
InChIKey: UCJPATVGPSMUQX-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5C=CC(=O)[C@H](CO)N
OpenEye OEToolkits 2.0.5C=CC(=O)C(CO)N
CACTVS 3.385N[C@@H](CO)C(=O)C=C
CACTVS 3.385N[CH](CO)C(=O)C=C
Name:(4~{S})-4-azanyl-5-oxidanyl-pent-1-en-3-one
ZINC: ZINC000116725649
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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