CHEBI:230440 - PG(i-24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))

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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 PG(i-24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))
ChEBI ID CHEBI:230440
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C50H89O13P
Net Charge 0
Average Mass 929.223
Monoisotopic Mass 928.60408
InChI InChI=1S/C50H89O13P/c1-4-5-26-33-44(52)34-28-23-20-21-24-29-35-47(54)48(55)36-31-38-50(57)63-46(42-62-64(58,59)61-40-45(53)39-51)41-60-49(56)37-30-25-19-17-15-13-11-9-7-6-8-10-12-14-16-18-22-27-32-43(2)3/h5,20-21,23-24,26,28-29,34-35,43-48,51-55H,4,6-19,22,25,27,30-33,36-42H2,1-3H3,(H,58,59)/b23-20+,24-21-,26-5-,34-28+,35-29-/t44-,45-,46+,47+,48+/m0/s1
InChIKey OWRBOUZIBWEZFX-QCSSPDEFSA-N
SMILES P(OC[C@H](OC(=O)CCC[C@@H](O)[C@H](O)/C=C\C=C/C=C/C=C/[C@@H](O)C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(OC[C@@H](O)CO)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PG(i-24:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)) (CHEBI:230440) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-[(5R,6R,7Z,9Z,11E,13E,15S,17Z)-5,6,15-trihydroxyicosa-7,9,11,13,17-pentaenoyl]oxypropyl] 22-methyltricosanoate
Manual Xrefs Databases
117226559 ChemSpider
HMDB0272261 HMDB
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