CHEBI:170436 - TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z))

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ChEBI Name TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z))
ChEBI ID CHEBI:170436
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/c1-4-7-10-13-16-19-22-24-26-28-29-31-33-35-38-40-43-46-49-52-58(61)64-55-56(65-59(62)53-50-47-44-41-36-21-18-15-12-9-6-3)54-63-57(60)51-48-45-42-39-37-34-32-30-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,32,34,39,42,56H,4-14,17,20-23,28-31,33,35-38,40-41,43-55H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,34-32-,42-39-/t56-/m0/s1
InChIKey RJJRGOFWLXAUFJ-KQGFHMPLSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)C[C@@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
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 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
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(20:3(5Z,8Z,11Z)/14:1(9Z)/22:2(13Z,16Z)) (CHEBI:170436) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
59658951 ChemSpider
HMDB0051003 HMDB
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