CHEBI:170407 - TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))

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ChEBI Name TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:170407
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C59H102O6
Net Charge 0
Average Mass 907.459
Monoisotopic Mass 906.76764
InChI InChI=1S/C59H102O6/c1-4-7-10-13-16-19-22-25-28-29-32-35-38-41-44-47-50-53-59(62)65-56(54-63-57(60)51-48-45-42-39-36-33-30-26-23-20-17-14-11-8-5-2)55-64-58(61)52-49-46-43-40-37-34-31-27-24-21-18-15-12-9-6-3/h8,11,17-18,20-21,25-28,30-31,56H,4-7,9-10,12-16,19,22-24,29,32-55H2,1-3H3/b11-8-,20-17-,21-18-,28-25-,30-26-,31-27-/t56-/m1/s1
InChIKey YDMVFEKLQCYPQD-BMWKCPJHSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:2(9Z,12Z)/20:1(11Z)/18:3(9Z,12Z,15Z)) (CHEBI:170407) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropan-2-yl] (Z)-icos-11-enoate
Manual Xrefs Databases
59661353 ChemSpider
HMDB0052569 HMDB
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