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BioLiP

PDB CCD ID: GEG
Number of entries in BioLiP: 8
Chemical formula: C6 H11 N O2
InChI: InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+
InChIKey: KQFBUAIXCIGKAP-GORDUTHDSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C\C=C(/CCC(=O)O)\N
CACTVS 3.341C\C=C(N)/CCC(O)=O
ACDLabs 10.04O=C(O)CCC(=C/C)\N
OpenEye OEToolkits 1.5.0CC=C(CCC(=O)O)N
CACTVS 3.341CC=C(N)CCC(O)=O
Name:(4E)-4-AMINOHEX-4-ENOIC ACID
DrugBank: DB01699
ZINC: ZINC000103542879
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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