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BioLiP

PDB CCD ID: YFZ
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O5
InChI: InChI=1S/C7H15NO5/c8-5(3-9)6(11)1-4(10)2-7(12)13/h4-6,9-11H,1-3,8H2,(H,12,13)/t4-,5-,6-/m0/s1
InChIKey: ISCLAUVNBIFWBC-ZLUOBGJFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[C@@H](CO)[C@@H](O)C[C@H](O)CC(O)=O
OpenEye OEToolkits 2.0.7C([C@@H](CC(=O)O)O)[C@@H]([C@H](CO)N)O
CACTVS 3.385N[CH](CO)[CH](O)C[CH](O)CC(O)=O
OpenEye OEToolkits 2.0.7C(C(CC(=O)O)O)C(C(CO)N)O
Name:(-)-Galantinic acid;
(3S,5S,6S)-6-azanyl-3,5,7-tris(oxidanyl)heptanoic acid;
Galantinic 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).
  • 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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