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CHEBI:187840 - PA(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))

ChEBI IDCHEBI:187840
ChEBI NamePA(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H85O8P
Net Charge0
Average Mass833.185
Monoisotopic Mass832.59821
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C49H85O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(51)57-47(46-56-58(52,53)54)45-55-48(50)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,25,27,31,33,37,39,47H,3-11,13,15-16,21-24,26,28-30,32,34-36,38,40-46H2,1-2H3,(H2,52,53,54)/b14-12-,19-17-,20-18-,27-25-,33-31-,39-37-/t47-/m1/s1
InChIKeyYTVVWUAMKHBNOO-HIOLEYBVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(22:5(4Z,7Z,10Z,13Z,16Z)/24:1(15Z)) (CHEBI:187840) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0115375HMDB
74877115ChemSpider