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BioLiP

PDB CCD ID: MDP
Number of entries in BioLiP: 0
Chemical formula: C11 H19 N O9
InChI: InChI=1S/C11H19NO9/c1-4(9(15)16)20-8-6(12(2)11(18)19)10(17)21-5(3-13)7(8)14/h4-8,10,13-14,17H,3H2,1-2H3,(H,15,16)(H,18,19)/t4-,5-,6-,7-,8-,10-/m1/s1
InChIKey: PVOFHMJNZUCTDT-MXGCPANSSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=C(O)C(OC1C(O)C(OC(O)C1N(C(=O)O)C)CO)C
OpenEye OEToolkits 1.7.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1O)CO)O)N(C)C(=O)O
CACTVS 3.352C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1N(C)C(O)=O)C(O)=O
OpenEye OEToolkits 1.7.0CC(C(=O)O)OC1C(C(OC(C1O)CO)O)N(C)C(=O)O
CACTVS 3.352C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1N(C)C(O)=O)C(O)=O
Name:N-carboxyl-N-methyl-beta-muramic acid;
N-CARBOXY-N-METHYL-MURAMIC ACID
ZINC: ZINC000058650806
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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