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BioLiP

PDB CCD ID: VTB
Number of entries in BioLiP: 1
Chemical formula: C7 H15 O10 P
InChI: InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1
InChIKey: CBIDVWSRUUODHL-CXNFULCWSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 2.0.6C(C1C(C(C(C(O1)(CO)O)O)O)O)OP(=O)(O)O
CACTVS 3.385OC[C@@]1(O)O[C@@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 2.0.6C([C@H]1[C@H]([C@H]([C@@H]([C@](O1)(CO)O)O)O)O)OP(=O)(O)O
Name:7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose;
[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate;
7-O-phosphono-alpha-L-galacto-hept-2-ulose;
7-O-phosphono-L-galacto-hept-2-ulose;
7-O-phosphono-galacto-hept-2-ulose
ZINC: ZINC000015273183
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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