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BioLiP

PDB CCD ID: 0JU
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N3 O
InChI: InChI=1S/C5H11N3O/c6-3-4(7)1-2-5(8)9/h3-4,6H,1-2,7H2,(H2,8,9)/b6-3-/t4-/m0/s1
InChIKey: IBIWXPIHBJDWKY-XVZWPQLSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370N[C@@H](CCC(N)=O)C=N
OpenEye OEToolkits 1.7.6C(CC(=O)N)C(C=N)N
OpenEye OEToolkits 1.7.6[H]/N=C\[C@H](CCC(=O)N)N
ACDLabs 12.01O=C(N)CCC(C=[N@H])N
CACTVS 3.370N[CH](CCC(N)=O)C=N
Name:(4S,5Z)-4-amino-5-iminopentanamide
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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