CHEBI:171182 - TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))

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ChEBI Name TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:171182
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/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-23-20-17-14-11-8-5-2/h16,19-20,23-25,27-28,31,34,52H,4-15,17-18,21-22,26,29-30,32-33,35-51H2,1-3H3/b19-16-,23-20-,25-24-,28-27-,34-31-/t52-/m0/s1
InChIKey MDXVSMKNQLMYQZ-MUYBOSFNSA-N
SMILES O(C(=O)CCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/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 HeLa cell (BTO:0000567). 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
ChEBI Ontology
Outgoing TG(16:1(9Z)/14:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:171182) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(Z)-hexadec-9-enoyl]oxy-2-tetradecanoyloxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
59657563 ChemSpider
HMDB0048426 HMDB
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