CHEBI:170771 - TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))

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ChEBI Name TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z))
ChEBI ID CHEBI:170771
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H98O6
Net Charge 0
Average Mass 855.383
Monoisotopic Mass 854.73634
InChI InChI=1S/C55H98O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-37-40-43-46-49-55(58)61-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-30-28-25-23-20-17-14-11-8-5-2/h15,18,24,26,29,31,37,40,52H,4-14,16-17,19-23,25,27-28,30,32-36,38-39,41-51H2,1-3H3/b18-15-,26-24-,31-29-,40-37-/t52-/m1/s1
InChIKey DDQSITQFLMKYCU-QSLQNDJJSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCC
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 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 HeLa cell (BTO:0000567). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:0/20:3(5Z,8Z,11Z)/14:1(9Z)) (CHEBI:170771) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-octadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual Xrefs Databases
59654376 ChemSpider
HMDB0044996 HMDB
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