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BioLiP

PDB CCD ID: MO0
Number of entries in BioLiP: 2
Chemical formula: C11 H22 N2 O8
InChI: InChI=1S/C11H22N2O8/c12-8(17)2-1-5(11(20)21)13-3-6(15)9(18)10(19)7(16)4-14/h5-7,9-10,13-16,18-19H,1-4H2,(H2,12,17)(H,20,21)/t5-,6+,7+,9+,10+/m0/s1
InChIKey: VPRLICVDSGMIKO-SZWOQXJISA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 2.0.5C(CC(=O)N)[C@@H](C(=O)O)NC[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
OpenEye OEToolkits 2.0.5C(CC(=O)N)C(C(=O)O)NCC(C(C(C(CO)O)O)O)O
CACTVS 3.385NC(=O)CC[C@H](NC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(O)=O
Name:mannopine
ZINC: ZINC000005112885
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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