CHEBI:170890 - TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z))

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ChEBI Name TG(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:170890
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C57H102O6
Net Charge 0
Average Mass 883.437
Monoisotopic Mass 882.76764
InChI InChI=1S/C57H102O6/c1-4-7-10-13-16-19-22-25-27-28-30-33-35-38-41-44-47-50-56(59)62-53-54(63-57(60)51-48-45-42-39-36-31-24-21-18-15-12-9-6-3)52-61-55(58)49-46-43-40-37-34-32-29-26-23-20-17-14-11-8-5-2/h17,20-21,24-27,29,54H,4-16,18-19,22-23,28,30-53H2,1-3H3/b20-17-,24-21-,27-25-,29-26-/t54-/m1/s1
InChIKey XAHFVLNVNUAPSO-YJXCAZQISA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/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 Hepa-RG cell (BTO:0005736). 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 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(20:1(11Z)/16:1(9Z)/18:2(9Z,12Z)) (CHEBI:170890) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z)-octadeca-9,12-dienoyl]oxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660390 ChemSpider
HMDB0050456 HMDB
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