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BioLiP

PDB CCD ID: I4D
Number of entries in BioLiP: 6
Chemical formula: C6 H13 O9 P
InChI: InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/t1-,2-,3-,4+,5-,6-/m0/s1
InChIKey: INAPMGSXUVUWAF-CNWJWELYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=P(O)(OC1C(O)C(O)C(O)C(O)C1O)O
CACTVS 3.385O[C@H]1[C@H](O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@H]1O
CACTVS 3.385O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
OpenEye OEToolkits 1.9.2C1(C(C(C(C(C1O)O)OP(=O)(O)O)O)O)O
OpenEye OEToolkits 1.9.2[C@H]1([C@H](C([C@H]([C@H](C1O)O)O)OP(=O)(O)O)O)O
Name:D-MYO-INOSITOL-4-PHOSPHATE
ZINC: ZINC000100016164
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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