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BioLiP

PDB CCD ID: CDI
Number of entries in BioLiP: 9
Chemical formula: C5 H12 O9 P2
InChI: InChI=1S/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-,5+/m1/s1
InChIKey: SFRQRNJMIIUYDI-UHNVWZDZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]1([C@@H](CO[P@](=O)(O[P@](=O)(O1)O)O)O)CO
CACTVS 3.341C[C@@]1(CO)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]1O
ACDLabs 10.04O=P1(OP(=O)(OCC(O)C(O1)(C)CO)O)O
OpenEye OEToolkits 1.5.0CC1(C(COP(=O)(OP(=O)(O1)O)O)O)CO
CACTVS 3.341C[C]1(CO)O[P](O)(=O)O[P](O)(=O)OC[CH]1O
Name:2C-METHYL-D-ERYTHRITOL 2,4-CYCLODIPHOSPHATE
DrugBank: DB03961
ZINC: ZINC000008419115
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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