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

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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 PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF2alpha)
ChEBI ID CHEBI:230937
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H78O16P2
Net Charge 0
Average Mass 973.084
Monoisotopic Mass 972.47651
InChI InChI=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
InChIKey SGDWFECUBMFQHO-XTXHMBRXSA-N
SMILES P(OC[C@H](OC(=O)CCC\C=C\C[C@@H]1[C@H]([C@H](O)C[C@@H]1O)/C=C/[C@@H](O)CCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(OC[C@@H](O)COP(O)(O)=O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
128428396 ChemSpider
HMDB0274192 HMDB
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