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BioLiP

PDB CCD ID: FF9
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N2 O4
InChI: InChI=1S/C10H18N2O4/c1-2-8(10(15)16)12-6-4-3-5-7(11)9(13)14/h7H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-8+/t7-/m0/s1
InChIKey: CWKRAMLJAYWANT-ZMMCGQQISA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCC(=NCCCCC(C(=O)O)N)C(=O)O
OpenEye OEToolkits 2.0.7CC/C(=N\CCCC[C@@H](C(=O)O)N)/C(=O)O
CACTVS 3.385CCC(=NCCCC[CH](N)C(O)=O)C(O)=O
CACTVS 3.385CCC(=NCCCC[C@H](N)C(O)=O)C(O)=O
Name:(2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic 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)(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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