SEQ2FUN

BioLiP

PDB CCD ID: OAB
Number of entries in BioLiP: 3
Chemical formula: C10 H18 N O10 P
InChI: InChI=1S/C10H18NO10P/c1-4(12)11-7-9(20-5(2)13)8(14)6(21-10(7)15)3-19-22(16,17)18/h6-10,14-15H,3H2,1-2H3,(H,11,12)(H2,16,17,18)/t6-,7+,8-,9-,10?/m1/s1
InChIKey: LMXWGHPJIXYEIE-QWIPYHCPSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(=O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1OC(C)=O
OpenEye OEToolkits 2.0.7CC(=O)N[C@H]1[C@H]([C@@H]([C@H](OC1O)COP(=O)(O)O)O)OC(=O)C
CACTVS 3.385CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1OC(C)=O
OpenEye OEToolkits 2.0.7CC(=O)NC1C(C(C(OC1O)COP(=O)(O)O)O)OC(=O)C
Name:{[(2R,3S,4R,5S,6S)-5-acetamido-3,6-dihydroxy-4-(2-oxopropyl)oxan-2-yl]methoxy}phosphonic 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).