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CHEBI:230937 - PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF2alpha)

Default Structure
ChEBI IDCHEBI:230937
ChEBI NamePGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF2alpha)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H78O16P2
Net Charge0
Average Mass973.084
Monoisotopic Mass972.47651
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=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/C48H78O16P2/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/h5,7,9-10,12-13,15-16,18-19,21-23,26,33-34,40-46,49-52H,3-4,6,8,11,14,17,20,24-25,27-32,35-39H2,1-2H3,(H,58,59)(H2,55,56,57)/b7-5-,10-9-,13-12-,16-15-,19-18-,22-21-,26-23+,34-33+/t40-,41-,42+,43+,44+,45-,46+/m0/s1
InChIKeySGDWFECUBMFQHO-XTXHMBRXSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF2alpha) (CHEBI:230937) is a organic molecular entity (CHEBI:50860)
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] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual XrefsDatabases
128428396ChemSpider
HMDB0274192HMDB