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CHEBI:186443 - PA(22:2(13Z,16Z)/16:0)

ChEBI IDCHEBI:186443
ChEBI NamePA(22:2(13Z,16Z)/16:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H77O8P
Net Charge0
Average Mass729.033
Monoisotopic Mass728.53561
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H77O8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39H,3-10,12,14-16,19-38H2,1-2H3,(H2,44,45,46)/b13-11-,18-17-/t39-/m1/s1
InChIKeyAYQTZHNWLKMPAX-XKKGNKCGSA-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(22:2(13Z,16Z)/16:0) (CHEBI:186443) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-hexadecanoyloxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual XrefsDatabases
HMDB0115299HMDB
74877039ChemSpider
LMGP10010761LIPID MAPS