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BioLiP Library

PDB CCD ID: A1LWV
Number of entries in BioLiP: 0
Chemical formula: C11 H20 N2 O4
InChI: InChI=1S/C11H20N2O4/c12-9(11(16)17)5-1-3-7-13-10(15)6-2-4-8-14/h8-9H,1-7,12H2,(H,13,15)(H,16,17)/t9-/m0/s1
InChIKey: IUBWATAYLBDTRN-VIFPVBQESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C(CCNC(=O)CCCC=O)C[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCCCNC(=O)CCCC=O)C(O)=O
OpenEye OEToolkits 2.0.7C(CCNC(=O)CCCC=O)CC(C(=O)O)N
CACTVS 3.385N[C@@H](CCCCNC(=O)CCCC=O)C(O)=O
Name:(2~{S})-2-azanyl-6-(5-oxidanylidenepentanoylamino)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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