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BioLiP

PDB CCD ID: VIO
Number of entries in BioLiP: 2
Chemical formula: C9 H20 N3 O2
InChI: InChI=1S/C9H19N3O2/c1-2-4-8(11)12-6-3-5-7(10)9(13)14/h7H,2-6,10H2,1H3,(H2,11,12)(H,13,14)/p+1/t7-/m0/s1
InChIKey: KRILJVOCVSUPMA-ZETCQYMHSA-O
SMILES:
SoftwareSMILES
CACTVS 3.341CCCC(=[NH2+])NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCCC(=[NH2+])NCCCC(C(=O)O)N
OpenEye OEToolkits 1.5.0CCCC(=[NH2+])NCCC[C@@H](C(=O)O)N
CACTVS 3.341CCCC(=[NH2+])NCCC[CH](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN/C(=[NH2+])CCC
Name:N5-(1-IMINO-3-BUTENYL)-L-ORNITHINE
DrugBank: DB03710
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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