CHEBI:186628 - PG(22:1(11Z)/20:3(8Z,11Z,14Z))

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ChEBI Name PG(22:1(11Z)/20:3(8Z,11Z,14Z))
ChEBI ID CHEBI:186628
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H87O10P
Net Charge 0
Average Mass 855.188
Monoisotopic Mass 854.60369
InChI InChI=1S/C48H87O10P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-47(51)55-43-46(44-57-59(53,54)56-42-45(50)41-49)58-48(52)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-22,26,28,45-46,49-50H,3-11,13,15-17,19,23-25,27,29-44H2,1-2H3,(H,53,54)/b14-12-,20-18-,22-21-,28-26-/t45-,46+/m0/s1
InChIKey USJNPOLXUPYEBC-LCHSTSLESA-N
SMILES P(OC[C@H](OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)(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
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidylglycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via phosphatidylglycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PG(22:1(11Z)/20:3(8Z,11Z,14Z)) (CHEBI:186628) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxypropyl] (Z)-docos-11-enoate
Manual Xrefs Databases
113377441 ChemSpider
LMGP04010747 LIPID MAPS
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