SEQ2FUN

BioLiP

PDB CCD ID: CIP
Number of entries in BioLiP: 2
Chemical formula: C7 H13 O7 P
InChI: InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
InChIKey: HSPMBPCIFXNUBY-YXVPSNDASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C2C(C(C(C(C2OP1(=O)O)O)O)O)O
CACTVS 3.341O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[P@@](O)(=O)C[C@@H]2[C@@H]1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH]2O[P](O)(=O)C[CH]2[CH]1O
OpenEye OEToolkits 1.5.0C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O
ACDLabs 10.04O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
Name:INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
ZINC: ZINC000005851142
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).