SEQ2FUN

BioLiP

PDB CCD ID: Y98
Number of entries in BioLiP: 0
Chemical formula: C9 H17 N O8
InChI: InChI=1S/C9H17NO8/c10-5-3(12)1-9(17,8(15)16)18-7(5)6(14)4(13)2-11/h3-7,11-14,17H,1-2,10H2,(H,15,16)/t3-,4+,5+,6+,7+,9+/m0/s1
InChIKey: CERZMXAJYMMUDR-LSRLBZCKSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
CACTVS 3.385N[C@@H]1[C@@H](O)C[C@@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
ACDLabs 14.52OC(=O)C1(O)CC(O)C(N)C(O1)C(O)C(O)CO
OpenEye OEToolkits 3.1.0.0C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)N)O
OpenEye OEToolkits 3.1.0.0C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O)[C@@H]([C@@H](CO)O)O)N)O
Name:5-amino-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).