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BioLiP

PDB CCD ID: L4C
Number of entries in BioLiP: 3
Chemical formula: C10 H14 N2 O8
InChI: InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1
InChIKey: ULEFFWARYSNNRF-NYYVKIQXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O
CACTVS 3.341CC(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O
ACDLabs 10.04O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O
CACTVS 3.341CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O
Name:(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID;
LACTIVICIN
ZINC: ZINC000034239656
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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