CHEBI:186557 - TG(14:1(9Z)/17:1(9Z)/20:3(8Z,11Z,14Z))[iso6]

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ChEBI Name TG(14:1(9Z)/17:1(9Z)/20:3(8Z,11Z,14Z))[iso6]
ChEBI ID CHEBI:186557
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H94O6
Net Charge 0
Average Mass 839.340
Monoisotopic Mass 838.70504
InChI InChI=1S/C54H94O6/c1-4-7-10-13-16-19-22-24-26-27-28-30-32-35-38-41-44-47-53(56)59-50-51(49-58-52(55)46-43-40-37-34-31-21-18-15-12-9-6-3)60-54(57)48-45-42-39-36-33-29-25-23-20-17-14-11-8-5-2/h15-16,18-19,23-26,28,30,51H,4-14,17,20-22,27,29,31-50H2,1-3H3/b18-15-,19-16-,25-23-,26-24-,30-28-/t51-/m1/s1
InChIKey DBXAFMJIHCHVPI-PFYPKBTDSA-N
SMILES O([C@H](COC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)C(=O)CCCCCCC/C=C\CCCCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(14:1(9Z)/17:1(9Z)/20:3(8Z,11Z,14Z))[iso6] (CHEBI:186557) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-2-[(Z)-heptadec-9-enoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
113372923 ChemSpider
LMGL03014714 LIPID MAPS
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