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CHEBI:231163 - PE(20:1(11Z)/6 keto-PGF1alpha)

ChEBI IDCHEBI:231163
ChEBI NamePE(20:1(11Z)/6 keto-PGF1alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H82NO12P
Net Charge0
Average Mass860.120
Monoisotopic Mass859.55746
SMILESCCCCCCCC/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC(=O)C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C45H82NO12P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-27-44(51)55-35-39(36-57-59(53,54)56-32-31-46)58-45(52)28-24-23-26-38(48)33-41-40(42(49)34-43(41)50)30-29-37(47)25-21-6-4-2/h12-13,29-30,37,39-43,47,49-50H,3-11,14-28,31-36,46H2,1-2H3,(H,53,54)/b13-12-,30-29+/t37-,39+,40+,41+,42+,43-/m0/s1
InChIKeyUNANWYZKZCTVPW-ZNQRPFPLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PE(20:1(11Z)/6 keto-PGF1alpha) (CHEBI:231163) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxypropyl] (Z)-icos-11-enoate
Manual XrefsDatabases
HMDB0261950HMDB
128426277ChemSpider