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CHEBI:194401 - (15R,21S)-18,21,24,24-Tetrahydroxy-3-methyl-18,24-dioxido-12-oxo-13,17,19,23-tetraoxa-18lambda~5~,24lambda~5~-diphosphatetracosan-15-yl 20-methylhenicosanoate

ChEBI IDCHEBI:194401
ChEBI Name(15R,21S)-18,21,24,24-Tetrahydroxy-3-methyl-18,24-dioxido-12-oxo-13,17,19,23-tetraoxa-18lambda~5~,24lambda~5~-diphosphatetracosan-15-yl 20-methylhenicosanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H82O13P2
Net Charge0
Average Mass845.042
Monoisotopic Mass844.52307
SMILESCCC(C)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C41H82O13P2/c1-5-37(4)29-25-21-18-19-22-26-30-40(43)50-34-39(35-53-56(48,49)52-33-38(42)32-51-55(45,46)47)54-41(44)31-27-23-17-15-13-11-9-7-6-8-10-12-14-16-20-24-28-36(2)3/h36-39,42H,5-35H2,1-4H3,(H,48,49)(H2,45,46,47)/t37?,38-,39+/m0/s1
InChIKeyDCKQQIZXIWWGDK-CIEWJMJXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) cerebral cortex (BTO:0000233) MetaboLights (MTBLS6578)
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(15R,21S)-18,21,24,24-Tetrahydroxy-3-methyl-18,24-dioxido-12-oxo-13,17,19,23-tetraoxa-18lambda~5~,24lambda~5~-diphosphatetracosan-15-yl 20-methylhenicosanoate (CHEBI:194401) is a phosphatidylglycerol phosphate (CHEBI:17264)
IUPAC Name 
[(2R)-1-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxy-3-(10-methyldodecanoyloxy)propan-2-yl] 20-methylhenicosanoate
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