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BioLiP

PDB CCD ID: AH0
Number of entries in BioLiP: 14
Chemical formula: C11 H17 N O7
InChI: InChI=1S/C11H17NO7/c1-4(10(15)16)18-9-7(12-5(2)13)11-17-3-6(19-11)8(9)14/h4,6-9,11,14H,3H2,1-2H3,(H,12,13)(H,15,16)/t4-,6-,7-,8-,9-,11-/m1/s1
InChIKey: ZFEGYUMHFZOYIY-YVNCZSHWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](O[CH]1[CH](O)[CH]2CO[CH](O2)[CH]1NC(C)=O)C(O)=O
CACTVS 3.341C[C@@H](O[C@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1NC(C)=O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C(=O)O)OC1C(C2OCC(C1O)O2)NC(=O)C
OpenEye OEToolkits 1.5.0C[C@H](C(=O)O)O[C@@H]1[C@H]([C@@H]2OC[C@H]([C@H]1O)O2)NC(=O)C
ACDLabs 10.04O=C(O)C(OC2C(O)C1OC(OC1)C2NC(=O)C)C
Name:2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID;
1,6-anhydro-N-acetylmuramic acid
ZINC: ZINC000034118661
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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