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CHEBI:230122 - PGP(PGF2alpha/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:230122
ChEBI NamePGP(PGF2alpha/22:4(7Z,10Z,13Z,16Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H82O16P2
Net Charge0
Average Mass977.116
Monoisotopic Mass976.50781
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O)COP(=O)(O)OC[C@@H](O)COP(=O)(O)O
InChIInChI=1S/C48H82O16P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-32-48(54)64-42(39-63-66(58,59)62-37-41(50)36-61-65(55,56)57)38-60-47(53)31-27-24-23-26-30-43-44(46(52)35-45(43)51)34-33-40(49)29-25-6-4-2/h9-10,12-13,15-16,18-19,23,26,33-34,40-46,49-52H,3-8,11,14,17,20-22,24-25,27-32,35-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b10-9-,13-12-,16-15-,19-18-,26-23+,34-33+/t40-,41-,42+,43+,44+,45-,46+/m0/s1
InChIKeyGNDSYBWVFFGCIV-JCFVZLNOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PGP(PGF2alpha/22:4(7Z,10Z,13Z,16Z)) (CHEBI:230122) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-1-[(E)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-[hydroxy-[(2S)-2-hydroxy-3-phosphonooxypropoxy]phosphoryl]oxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
128428343ChemSpider
HMDB0273881HMDB