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BioLiP

PDB CCD ID: 61J
Number of entries in BioLiP: 1
Chemical formula: C8 H17 O7 P
InChI: InChI=1S/C8H17O7P/c1-4-6(9)8(11)7(10)5(15-4)2-3-14-16(12)13/h4-11,16H,2-3H2,1H3,(H,12,13)/t4-,5-,6+,7+,8+/m0/s1
InChIKey: VFSMFEFBFABRKT-TVNFTVLESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC1C(C(C(C(O1)CCOP(=O)O)O)O)O
CACTVS 3.385C[CH]1O[CH](CCO[PH](O)=O)[CH](O)[CH](O)[CH]1O
CACTVS 3.385C[C@@H]1O[C@@H](CCO[PH](O)=O)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 12.01C1(C)C(C(C(C(O1)CCOP(=O)O)O)O)O
OpenEye OEToolkits 2.0.4C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CCOP(=O)O)O)O)O
Name:(6S)-2,6-anhydro-1-deoxy-6-(2-{[(S)-hydroxy(oxido)-lambda~5~-phosphanyl]oxy}ethyl)-D-galactitol
ZINC: ZINC000584905318
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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