PDB CCD ID: | HI5 |
Number of entries in BioLiP: | 1 |
Chemical formula: | C11 H23 O9 P |
InChI: | InChI=1S/C11H23O9P/c1-3-5-10(12)18-7-9(20-11(13)6-4-2)8-19-21(14,15,16)17/h9,14-17H,3-8H2,1-2H3/t9-/m1/s1 |
InChIKey: | YBSWGBVCGAZBHG-SECBINFHSA-N |
SMILES: | Software | SMILES |
---|
CACTVS 3.341 | CCCC(=O)OC[C@H](CO[P](O)(O)(O)O)OC(=O)CCC | OpenEye OEToolkits 1.5.0 | CCCC(=O)OCC(COP(O)(O)(O)O)OC(=O)CCC | OpenEye OEToolkits 1.5.0 | CCCC(=O)OC[C@H](COP(O)(O)(O)O)OC(=O)CCC | CACTVS 3.341 | CCCC(=O)OC[CH](CO[P](O)(O)(O)O)OC(=O)CCC | ACDLabs 10.04 | O=C(OCC(OC(=O)CCC)COP(O)(O)(O)O)CCC |
|
Name: | 2-(BUTYRYLOXY)-1-{[(TETRAHYDROXYPHOSPHORANYL)OXY]METHYL}ETHYL BUTYRATE |
DrugBank: | DB07898 |
ZINC: | ZINC000033821357 |