CHEBI:170821 - TG(20:1(11Z)/14:1(9Z)/20:3n6)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TG(20:1(11Z)/14:1(9Z)/20:3n6)
ChEBI ID CHEBI:170821
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C57H100O6
Net Charge 0
Average Mass 881.421
Monoisotopic Mass 880.75199
InChI InChI=1S/C57H100O6/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-34-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-36-33-31-29-27-25-23-20-17-14-11-8-5-2/h15-16,18-19,24-27,30,32,54H,4-14,17,20-23,28-29,31,33-53H2,1-3H3/b18-15-,19-16-,26-24-,27-25-,32-30-/t54-/m1/s1
InChIKey MIFIJCHVVASRCZ-UMNWWONZSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
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 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 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
ChEBI Ontology
Outgoing TG(20:1(11Z)/14:1(9Z)/20:3n6) (CHEBI:170821) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660375 ChemSpider
HMDB0050440 HMDB
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