CHEBI:172821 - PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))

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ChEBI Name PG(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))
ChEBI ID CHEBI:172821
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ChemicalBook:CB91421456, ZINC000000897714
Download Molfile XML SDF
Formula C42H71O10P
Net Charge 0
Average Mass 766.994
Monoisotopic Mass 766.47849
InChI InChI=1S/C42H71O10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)49-37-40(38-51-53(47,48)50-36-39(44)35-43)52-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,23-26,39-40,43-44H,3-10,15-16,21-22,27-38H2,1-2H3,(H,47,48)/b13-11-,14-12-,19-17-,20-18-,25-23-,26-24-/t39-,40+/m0/s1
InChIKey CRMBDNVWTUGBMN-FQTJGYFUSA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). 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)/18:3(6Z,9Z,12Z)) (CHEBI:172821) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
24768165 ChemSpider
HMDB0010666 HMDB
LMGP04010380 LIPID MAPS
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