CHEBI:230976 - PG(i-22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))

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ChEBI Name PG(i-22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))
ChEBI ID CHEBI:230976
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H87O11P
Net Charge 0
Average Mass 895.209
Monoisotopic Mass 894.59860
InChI InChI=1S/C50H87O11P/c1-4-5-6-7-8-9-10-11-12-16-19-22-25-28-31-34-37-46(52)39-40-50(55)61-48(44-60-62(56,57)59-42-47(53)41-51)43-58-49(54)38-35-32-29-26-23-20-17-14-13-15-18-21-24-27-30-33-36-45(2)3/h5-6,8-9,11-12,19,22,28,31,34,37,45-48,51-53H,4,7,10,13-18,20-21,23-27,29-30,32-33,35-36,38-44H2,1-3H3,(H,56,57)/b6-5-,9-8-,12-11-,22-19-,31-28-,37-34-/t46?,47-,48+/m0/s1
InChIKey KEBUEFKBPYJKOT-SOKFDHAOSA-N
SMILES P(OC[C@H](OC(=O)CCC(O)/C=C\C=C/C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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(i-22:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)) (CHEBI:230976) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name
[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-(20-methylhenicosanoyloxy)propan-2-yl] (5Z,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoate
Manual Xrefs Databases
117226479 ChemSpider
HMDB0272163 HMDB
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