CHEBI:186665 - PGD2-dihydroxypropanylamine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PGD2-dihydroxypropanylamine
ChEBI ID CHEBI:186665
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H39NO6
Net Charge 0
Average Mass 425.566
Monoisotopic Mass 425.27774
InChI InChI=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
InChIKey YRUGYYZQISUWGN-AVMYJHFGSA-N
SMILES O[C@@H]1[C@@H]([C@H](C(=O)C1)/C=C/[C@@H](O)CCCCC)C/C=C\CCCC(=O)NC(CO)CO
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 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
Manual Xrefs Databases
24822063 ChemSpider
LMFA03010191 LIPID MAPS
View more database links