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CHEBI:230777 - pi(15:0/20:3(8z,11z,14z))

Default Structure
ChEBI IDCHEBI:230777
ChEBI Namepi(15:0/20:3(8z,11z,14z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H79O13P
Net Charge0
Average Mass847.077
Monoisotopic Mass846.52583
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)[C@@H](O)C1O
InChIInChI=1S/C44H79O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-38(46)56-36(34-54-37(45)32-30-28-26-24-22-16-14-12-10-8-6-4-2)35-55-58(52,53)57-44-42(50)40(48)39(47)41(49)43(44)51/h11,13,17-18,20-21,36,39-44,47-51H,3-10,12,14-16,19,22-35H2,1-2H3,(H,52,53)/b13-11-,18-17-,21-20-/t36-,39?,40-,41?,42?,43?,44?/m1/s1
InChIKeyOJLIYBPUOMVNPF-GNFRAKNDSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
ChEBI Ontology
Outgoing Relation(s)
pi(15:0/20:3(8z,11z,14z)) (CHEBI:230777) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
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