CHEBI:170901 - TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z))

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ChEBI Name TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z))
ChEBI ID CHEBI:170901
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/c1-4-7-10-13-16-19-22-24-26-28-30-32-35-37-40-43-46-49-55(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/h24-27,30,32,37,40,54H,4-23,28-29,31,33-36,38-39,41-53H2,1-3H3/b26-24-,27-25-,32-30-,40-37-/t54-/m1/s1
InChIKey SHYQNKZJLJXKPA-MJHHRUIBSA-N
SMILES O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
Metabolite of Species Details
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). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). See: MetaboLights Study
ChEBI Ontology
Outgoing TG(20:1(11Z)/14:0/20:3(5Z,8Z,11Z)) (CHEBI:170901) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-2-tetradecanoyloxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
59660246 ChemSpider
HMDB0050301 HMDB
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