PDB CCD ID: | PA6 |
Number of entries in BioLiP: | 7 |
Chemical formula: | C9 H17 O8 P |
InChI: | InChI=1S/C9H17O8P/c1-2-3-4-9(11)15-5-8(16-7-10)6-17-18(12,13)14/h7-8H,2-6H2,1H3,(H2,12,13,14)/t8-/m1/s1 |
InChIKey: | JDTMNMAQWVSSOO-MRVPVSSYSA-N |
SMILES: | Software | SMILES |
---|
ACDLabs 10.04 | O=P(O)(OCC(OC=O)COC(=O)CCCC)O | CACTVS 3.341 | CCCCC(=O)OC[CH](CO[P](O)(O)=O)OC=O | OpenEye OEToolkits 1.5.0 | CCCCC(=O)OCC(COP(=O)(O)O)OC=O | OpenEye OEToolkits 1.5.0 | CCCCC(=O)OC[C@H](COP(=O)(O)O)OC=O | CACTVS 3.341 | CCCCC(=O)OC[C@H](CO[P](O)(O)=O)OC=O |
|
Name: | (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE; PHOSPHATIDIC ACID |
DrugBank: | DB08367 |
ZINC: | ZINC000005972939 |