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BioLiP

PDB CCD ID: GC9
Number of entries in BioLiP: 4
Chemical formula: C11 H17 N O9
InChI: InChI=1S/C11H17NO9/c13-2-5(16)9(18)10-8(12-7(17)3-14)4(15)1-6(21-10)11(19)20/h1,4-5,8-10,13-16,18H,2-3H2,(H,12,17)(H,19,20)/t4-,5+,8+,9-,10+/m0/s1
InChIKey: FDONZIZJWIPGCO-CYVDNQRASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H]([C@@H](CO)O)O)C(=O)O
CACTVS 3.385OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1NC(=O)CO)C(O)=O
CACTVS 3.385OC[C@@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C@H]1NC(=O)CO)C(O)=O
ACDLabs 12.01C1(C=C(C(O)=O)OC(C1NC(CO)=O)C(C(O)CO)O)O
OpenEye OEToolkits 2.0.7C1=C(OC(C(C1O)NC(=O)CO)C(C(CO)O)O)C(=O)O
Name:2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid
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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