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CHEBI:230304 - PE(DiMe(13,5)/PGF2alpha)

Default Structure
ChEBI IDCHEBI:230304
ChEBI NamePE(DiMe(13,5)/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H86NO12P
Net Charge0
Average Mass912.196
Monoisotopic Mass911.58876
SMILESCCCCCc1oc(CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCC/C=C/C[C@@H]2[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]2O)c(C)c1C
InChIInChI=1S/C49H86NO12P/c1-5-7-19-25-40(51)31-32-43-42(44(52)35-45(43)53)26-21-17-18-24-30-49(55)61-41(37-60-63(56,57)59-34-33-50)36-58-48(54)29-23-16-14-12-10-9-11-13-15-22-28-47-39(4)38(3)46(62-47)27-20-8-6-2/h17,21,31-32,40-45,51-53H,5-16,18-20,22-30,33-37,50H2,1-4H3,(H,56,57)/b21-17+,32-31+/t40-,41+,42+,43+,44-,45+/m0/s1
InChIKeyQAWSEOZUQUDOIM-HVIXQBPOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(DiMe(13,5)/PGF2alpha) (CHEBI:230304) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxypropyl] 13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoate
Manual XrefsDatabases
128425093ChemSpider
HMDB0284888HMDB