CHEBI:171186 - TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))

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ChEBI Name TG(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:171186
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/c1-4-7-10-13-16-19-22-24-25-26-27-28-29-31-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-30-23-20-17-14-11-8-5-2/h15-16,18-19,24-25,27-28,31,33,52H,4-14,17,20-23,26,29-30,32,34-51H2,1-3H3/b18-15-,19-16-,25-24-,28-27-,33-31-/t52-/m1/s1
InChIKey DJBSAGJERMKCDN-KXXMQWMHSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)[C@H](COC(=O)CCCCCCC/C=C\CCCC)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 (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 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(14:1(9Z)/16:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:171186) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2R)-2-hexadecanoyloxy-3-[(Z)-tetradec-9-enoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
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