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BioLiP

PDB CCD ID: 3FM
Number of entries in BioLiP: 0
Chemical formula: C7 H13 N O7
InChI: InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1
InChIKey: VHSXUACPEQOKHS-PQMKYFCFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341NC(=O)O[C@@H]1[C@H](O)[C@@H](O)O[C@H](CO)[C@H]1O
CACTVS 3.341NC(=O)O[CH]1[CH](O)[CH](O)O[CH](CO)[CH]1O
ACDLabs 10.04O=C(OC1C(O)C(OC(O)C1O)CO)N
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)OC(=O)N)O)O
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)OC(=O)N)O)O
Name:3-O-carbamoyl-alpha-D-mannopyranose;
3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE;
3-O-carbamoyl-alpha-D-mannose;
3-O-carbamoyl-D-mannose;
3-O-carbamoyl-mannose
ZINC: ZINC000005829986
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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