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BioLiP

PDB CCD ID: SUO
Number of entries in BioLiP: 10
Chemical formula: C9 H16 N2 O5
InChI: InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
InChIKey: VWXQFHJBQHTHMK-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)NC(=O)CCC(=O)O)CN
CACTVS 3.341NCCC[CH](NC(=O)CCC(O)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)O)CCCN)CCC(=O)O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)NC(=O)CCC(=O)O)CN
Name:N~2~-(3-CARBOXYPROPANOYL)-L-ORNITHINE;
N~2~-SUCCINYLORNITHINE
DrugBank: DB03582
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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