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BioLiP

PDB CCD ID: X5H
Number of entries in BioLiP: 0
Chemical formula: C8 H13 N O4
InChI: InChI=1S/C8H13NO4/c10-7(11)4-2-1-3-5-9-6-8(12)13/h1,3,9H,2,4-6H2,(H,10,11)(H,12,13)/b3-1+
InChIKey: NGHLUBBLFARTJA-HNQUOIGGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CC(=O)O)/C=C/CNCC(=O)O
CACTVS 3.385OC(=O)CCC=CCNCC(O)=O
OpenEye OEToolkits 2.0.7C(CC(=O)O)C=CCNCC(=O)O
CACTVS 3.385OC(=O)CC/C=C/CNCC(O)=O
Name:(~{E})-6-(2-hydroxy-2-oxoethylamino)hex-4-enoic acid
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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