CHEBI:187605 - PG(O-16:0/22:4(7Z,10Z,13Z,16Z))

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ChEBI Name PG(O-16:0/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:187605
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C44H81O9P
Net Charge 0
Average Mass 785.097
Monoisotopic Mass 784.56182
InChI InChI=1S/C44H81O9P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-26-28-30-32-34-36-44(47)53-43(41-52-54(48,49)51-39-42(46)38-45)40-50-37-35-33-31-29-27-25-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,24,26,42-43,45-46H,3-10,12,14-16,18,20,23,25,27-41H2,1-2H3,(H,48,49)/b13-11-,19-17-,22-21-,26-24-/t42-,43+/m0/s1
InChIKey MGHLVJXBBBQZLA-PTQJDVFGSA-N
SMILES P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COCCCCCCCCCCCCCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing PG(O-16:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:187605) is a glycerophosphoglycerols (CHEBI:24360)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
113377647 ChemSpider
LMGP04020017 LIPID MAPS
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