CHEBI:186419 - PG(18:3(6Z,9Z,12Z)/21:0)

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ChEBI Name PG(18:3(6Z,9Z,12Z)/21:0)
ChEBI ID CHEBI:186419
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB9742062, eMolecules:510670, ZINC000002243726
Download Molfile XML SDF
Formula C45H83O10P
Net Charge 0
Average Mass 815.123
Monoisotopic Mass 814.57239
InChI InChI=1S/C45H83O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h12,14,18,22,26,28,42-43,46-47H,3-11,13,15-17,19-21,23-25,27,29-41H2,1-2H3,(H,50,51)/b14-12-,22-18-,28-26-/t42-,43+/m0/s1
InChIKey IPCDIDJTISNOLB-VJSZKWLZSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(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(18:3(6Z,9Z,12Z)/21:0) (CHEBI:186419) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropan-2-yl] henicosanoate
Manual Xrefs Databases
113377108 ChemSpider
LMGP04010391 LIPID MAPS
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