CHEBI:170740 - TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z))

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ChEBI Name TG(16:1(9Z)/16:0/20:3(5Z,8Z,11Z))
ChEBI ID CHEBI:170740
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/c1-4-7-10-13-16-19-22-25-26-27-28-31-33-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-34-30-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-23-20-17-14-11-8-5-2/h20,23,25-26,28,31,36,39,52H,4-19,21-22,24,27,29-30,32-35,37-38,40-51H2,1-3H3/b23-20-,26-25-,31-28-,39-36-/t52-/m0/s1
InChIKey JWNWCIRXPXBJCL-VEBFPZQCSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
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(16:1(9Z)/16:0/20:3(5Z,8Z,11Z)) (CHEBI:170740) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-hexadecanoyloxy-3-[(Z)-hexadec-9-enoyl]oxypropyl] (5Z,8Z,11Z)-icosa-5,8,11-trienoate
Manual Xrefs Databases
59657595 ChemSpider
HMDB0048461 HMDB
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