CHEBI:230434 - PA(a-25:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))

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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 PA(a-25:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))
ChEBI ID CHEBI:230434
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C48H87O10P
Net Charge 0
Average Mass 855.188
Monoisotopic Mass 854.60369
InChI InChI=1S/C48H87O10P/c1-4-6-7-8-9-10-11-21-24-27-30-33-37-45(49)46(50)38-35-40-48(52)58-44(42-57-59(53,54)55)41-56-47(51)39-34-31-28-25-22-19-17-15-13-12-14-16-18-20-23-26-29-32-36-43(3)5-2/h6-7,9-10,21,24,30,33,43-46,49-50H,4-5,8,11-20,22-23,25-29,31-32,34-42H2,1-3H3,(H2,53,54,55)/b7-6-,10-9-,24-21-,33-30-/t43?,44-,45-,46-/m1/s1
InChIKey NNZDXLYHMCVWRS-UBZJTZBZSA-N
SMILES P(OC[C@H](OC(=O)CCC[C@@H](O)[C@H](O)C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCCCCCCCCCCCC(CC)C)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing PA(a-25:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)) (CHEBI:230434) is a organic molecular entity (CHEBI:50860)
IUPAC Name
[(2R)-2-[(5R,6R,8Z,11Z,14Z,17Z)-5,6-dihydroxyicosa-8,11,14,17-tetraenoyl]oxy-3-phosphonooxypropyl] 22-methyltetracosanoate
Manual Xrefs Databases
117222527 ChemSpider
HMDB0267285 HMDB
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