CHEBI:171140 - TG(20:2n6/14:0/18:3(9Z,12Z,15Z))

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ChEBI Name TG(20:2n6/14:0/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:171140
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H96O6
Net Charge 0
Average Mass 853.367
Monoisotopic Mass 852.72069
InChI InChI=1S/C55H96O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h8,11,16-17,19-20,24-26,28,52H,4-7,9-10,12-15,18,21-23,27,29-51H2,1-3H3/b11-8-,19-16-,20-17-,26-24-,28-25-/t52-/m1/s1
InChIKey YDUDDRNPXONNIT-QXZBKNQSSA-N
SMILES O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/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(20:2n6/14:0/18:3(9Z,12Z,15Z)) (CHEBI:171140) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-tetradecanoyloxypropyl] (11Z,14Z)-icosa-11,14-dienoate
Manual Xrefs Databases
59661997 ChemSpider
HMDB0053270 HMDB
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