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BioLiP

PDB CCD ID: LYH
Number of entries in BioLiP: 0
Chemical formula: C6 H12 N2 O2
InChI: InChI=1S/C6H12N2O2/c7-4-2-1-3-5(8)6(9)10/h1,3,5H,2,4,7-8H2,(H,9,10)/b3-1+/t5-/m0/s1
InChIKey: BLKNAFAMNSXQRW-JRIXXDKMSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)C(/C=C/CCN)N
OpenEye OEToolkits 1.7.0C(CN)/C=C/[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.0C(CN)C=CC(C(=O)O)N
CACTVS 3.370NCC/C=C/[C@H](N)C(O)=O
CACTVS 3.370NCCC=C[CH](N)C(O)=O
Name:3,4 ENE-LYSINE;
(2S,3E)-2,6-DIAMINOHEX-3-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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