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CHEBI:230971 - PS(6 keto-PGF1alpha/22:0)

ChEBI IDCHEBI:230971
ChEBI NamePS(6 keto-PGF1alpha/22:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H88NO14P
Net Charge0
Average Mass934.199
Monoisotopic Mass933.59424
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@H](N)C(=O)O)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/C48H88NO14P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-29-46(54)60-35-40(36-61-64(58,59)62-37-43(49)48(56)57)63-47(55)30-26-25-28-39(51)33-42-41(44(52)34-45(42)53)32-31-38(50)27-23-6-4-2/h31-32,38,40-45,50,52-53H,3-30,33-37,49H2,1-2H3,(H,56,57)(H,58,59)/b32-31+/t38-,40+,41+,42+,43-,44+,45-/m0/s1
InChIKeyVQRWDZIWIABFBG-JZWGWPDBSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PS(6 keto-PGF1alpha/22:0) (CHEBI:230971) is a prostanoid (CHEBI:26347)
IUPAC Name 
(2S)-2-amino-3-[[(2R)-2-[7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]-6-oxoheptanoyl]oxy-3-docosanoyloxypropoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual XrefsDatabases
HMDB0282905HMDB
128424745ChemSpider