CHEBI:187388 - PG(12:0/20:5(5Z,8Z,11Z,14Z,17Z))

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ChEBI Name PG(12:0/20:5(5Z,8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:187388
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C38H65O10P
Net Charge 0
Average Mass 712.902
Monoisotopic Mass 712.43154
InChI InChI=1S/C38H65O10P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-38(42)48-36(34-47-49(43,44)46-32-35(40)31-39)33-45-37(41)29-27-25-23-21-12-10-8-6-4-2/h5,7,11,13,15-16,18-19,22,24,35-36,39-40H,3-4,6,8-10,12,14,17,20-21,23,25-34H2,1-2H3,(H,43,44)/b7-5-,13-11-,16-15-,19-18-,24-22-/t35-,36+/m0/s1
InChIKey HGTBDFFXOLRIBK-WFOOSBKCSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC)(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(12:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:187388) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-dodecanoyloxypropan-2-yl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual Xrefs Databases
113376819 ChemSpider
LMGP04010063 LIPID MAPS
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