CHEBI:186268 - PG(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))

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ChEBI Name PG(22:1(11Z)/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:186268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H89O10P
Net Charge 0
Average Mass 881.226
Monoisotopic Mass 880.61934
InChI InChI=1S/C50H89O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-49(53)57-45-48(46-59-61(55,56)58-44-47(52)43-51)60-50(54)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20-21,23-24,26,30,32,47-48,51-52H,3-11,13,15-17,19,22,25,27-29,31,33-46H2,1-2H3,(H,55,56)/b14-12-,20-18-,23-21-,26-24-,32-30-/t47-,48+/m0/s1
InChIKey VJIDRCQUYVLMKD-RPSRHSCVSA-N
SMILES P(OC[C@H](OC(=O)CCCCC/C=C\C/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)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:186268) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyl]oxypropyl] (Z)-docos-11-enoate
Manual Xrefs Databases
113377448 ChemSpider
LMGP04010754 LIPID MAPS
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