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BioLiP

PDB CCD ID: RZV
Number of entries in BioLiP: 1
Chemical formula: C12 H20 N O9 P
InChI: InChI=1S/C12H20NO9P/c1-7(14)13-9(3-5-11(17)18)23(21,22)6-8(12(19)20)2-4-10(15)16/h8-9H,2-6H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)/t8-,9-/m1/s1
InChIKey: ZYUHYZCJHIQCIO-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC(=O)O)C(=O)O)O
CACTVS 3.385CC(=O)N[CH](CCC(O)=O)[P](O)(=O)C[CH](CCC(O)=O)C(O)=O
CACTVS 3.385CC(=O)N[C@@H](CCC(O)=O)[P](O)(=O)C[C@@H](CCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=O)O)C(=O)O)O
Name:(2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
ZINC: ZINC000096273092
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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