CHEBI:171162 - TG(18:1(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(18:1(11Z)/14:1(9Z)/20:3n6)
ChEBI ID CHEBI:171162
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/h15-16,18-20,23-24,26,29,31,52H,4-14,17,21-22,25,27-28,30,32-51H2,1-3H3/b18-15-,19-16-,23-20-,26-24-,31-29-/t52-/m0/s1
InChIKey OFXPDVFCVMOXOI-MWFUTKLXSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCC)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 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 HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:1(11Z)/14:1(9Z)/20:3n6) (CHEBI:171162) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(Z)-octadec-11-enoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z)-icosa-8,11,14-trienoate
Manual Xrefs Databases
59658297 ChemSpider
HMDB0049228 HMDB
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