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BioLiP Library

PDB CCD ID: AA1
Number of entries in BioLiP: 0
Chemical formula: C8 H14 N2 O5
InChI: InChI=1S/C8H14N2O5/c1-2-15-8(14)4-3-6(11)10(9)5-7(12)13/h2-5,9H2,1H3,(H,12,13)
InChIKey: HLIXWPZILNATCE-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=C(N(N)CC(=O)O)CCC(=O)OCC
CACTVS 3.341CCOC(=O)CCC(=O)N(N)CC(O)=O
OpenEye OEToolkits 1.5.0CCOC(=O)CCC(=O)N(CC(=O)O)N
Name:[1-(4-ETHOXY-4-OXOBUTANOYL)HYDRAZINO]ACETIC ACID
ZINC: ZINC000058638546
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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