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CHEBI:230126 - PGP(22:4(7Z,10Z,13Z,16Z)/PGF2alpha)

ChEBI IDCHEBI:230126
ChEBI NamePGP(22:4(7Z,10Z,13Z,16Z)/PGF2alpha)
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)OC[C@H](COP(=O)(O)OC[C@@H](O)COP(=O)(O)O)OC(=O)CCC/C=C/C[C@@H]1[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]1O
InChIInChI=1S/C48H82O16P2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-31-47(53)60-38-42(39-63-66(58,59)62-37-41(50)36-61-65(55,56)57)64-48(54)32-28-24-23-26-30-43-44(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
InChIKeyBJSBVVAYPAXWHF-JCFVZLNOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PGP(22:4(7Z,10Z,13Z,16Z)/PGF2alpha) (CHEBI:230126) is a prostanoid (CHEBI:26347)
IUPAC Name 
[(2R)-2-[(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]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual XrefsDatabases
128428342ChemSpider
HMDB0273880HMDB