CHEBI:143989 - TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]

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ChEBI Name TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]
ChEBI ID CHEBI:143989
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C65H96O6
Net Charge 0
Average Mass 973.477
Monoisotopic Mass 972.72069
InChI InChI=1S/C65H96O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7-12,16-21,25-29,32-36,39-40,42-43,48-49,51-52,62H,4-6,13-15,22-24,30-31,37-38,41,44-47,50,53-61H2,1-3H3/b10-7-,11-8-,12-9-,19-16-,20-17-,21-18-,28-25-,29-26-,34-32-,35-33-,36-27-,42-39-,43-40-,51-48-,52-49-
InChIKey TXUHULOCCNJMID-GTUNKWFOSA-N
SMILES C([C@@](COC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O)(OC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)[H])OC(CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via triacylglycerol 62:15 )
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ChEBI Ontology
Outgoing TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:3(9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3] (CHEBI:143989) is a triacylglycerol 62:15 (CHEBI:143988)
Manual Xref Database
HMDB0010558 HMDB accession
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