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CHEBI:230434 - PA(a-25:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

Default Structure
ChEBI IDCHEBI:230434
ChEBI NamePA(a-25:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H87O10P
Net Charge0
Average Mass855.188
Monoisotopic Mass854.60369
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C[C@@H](O)[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC)COP(=O)(O)O
InChIInChI=1S/C48H87O10P/c1-4-6-7-8-9-10-11-21-24-27-30-33-37-45(49)46(50)38-35-40-48(52)58-44(42-57-59(53,54)55)41-56-47(51)39-34-31-28-25-22-19-17-15-13-12-14-16-18-20-23-26-29-32-36-43(3)5-2/h6-7,9-10,21,24,30,33,43-46,49-50H,4-5,8,11-20,22-23,25-29,31-32,34-42H2,1-3H3,(H2,53,54,55)/b7-6-,10-9-,24-21-,33-30-/t43?,44-,45-,46-/m1/s1
InChIKeyNNZDXLYHMCVWRS-UBZJTZBZSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PA(a-25:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) (CHEBI:230434) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-2-[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy-3-phosphonooxypropyl] 22-methyltetracosanoate
Manual XrefsDatabases
117222527ChemSpider
HMDB0267285HMDB