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CHEBI:186665 - PGD2-dihydroxypropanylamine

ChEBI IDCHEBI:186665
ChEBI NamePGD2-dihydroxypropanylamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H39NO6
Net Charge0
Average Mass425.566
Monoisotopic Mass425.27774
SMILESCCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)NC(CO)CO
InChIInChI=1S/C23H39NO6/c1-2-3-6-9-18(27)12-13-20-19(21(28)14-22(20)29)10-7-4-5-8-11-23(30)24-17(15-25)16-26/h4,7,12-13,17-21,25-28H,2-3,5-6,8-11,14-16H2,1H3,(H,24,30)/b7-4-,13-12+/t18-,19+,20+,21-/m0/s1
InChIKeyYRUGYYZQISUWGN-AVMYJHFGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
PGD2-dihydroxypropanylamine (CHEBI:186665) is a prostanoid (CHEBI:26347)
IUPAC Name 
(Z)-N-(1,3-dihydroxypropan-2-yl)-7-[(1R,2R,5S)-5-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-3-oxocyclopentyl]hept-5-enamide
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24822063ChemSpider
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