CHEBI:171150 - TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))

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ChEBI Name TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z))
ChEBI ID CHEBI:171150
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/c1-4-7-10-13-16-19-22-25-27-30-32-35-38-41-44-47-53(56)59-50-52(61-55(58)49-46-43-40-37-34-29-24-21-18-15-12-9-6-3)51-60-54(57)48-45-42-39-36-33-31-28-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-28,52H,4-6,8-9,11-15,17-18,20,22-23,29-51H2,1-3H3/b10-7-,19-16-,24-21-,27-25-,28-26-/t52-/m1/s1
InChIKey ZEKFRROIYZYMJB-YUXMUTLDSA-N
SMILES O([C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCCCC
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 HeLa cell (BTO:0000567). 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 Hepa-RG cell (BTO:0005736). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(18:1(9Z)/16:1(9Z)/18:3(9Z,12Z,15Z)) (CHEBI:171150) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(Z)-hexadec-9-enoyl]oxy-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxypropyl] (Z)-octadec-9-enoate
Manual Xrefs Databases
59659861 ChemSpider
HMDB0049874 HMDB
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