RefMet Compound Details

RefMet IDRM0138813
MW structure20894 (View MW Metabolite Database details)
RefMet namePA 17:0/17:0
Alternative namePA(17:0/17:0)
Systematic name1-2-di-heptadecanoyl-sn-glycero-3-phosphate
SMILESCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCC   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Sum CompositionPA 34:0 View other entries in RefMet with this sum composition
Exact mass676.504308 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC37H73O8PView other entries in RefMet with this formula
InChIInChI=1S/C37H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-20-18-1
6-14-12-10-8-6-4-2/h35H,3-34H2,1-2H3,(H2,40,41,42)/t35-/m1/s1
InChIKeyDCTKYKGNFQBCHY-PGUFJCEWSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassGlycerophospholipids
Main ClassGlycerophosphates
Sub ClassPA (Phosphatidic acids)
Pubchem CID16219855
ChEBI ID196771
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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