CHEBI:196911 - TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))

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ChEBI Name TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:196911
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C55H90O6
Net Charge 0
Average Mass 847.319
Monoisotopic Mass 846.67374
InChI InChI=1S/C55H90O6/c1-4-7-10-13-16-19-22-24-26-27-29-31-34-36-39-42-45-48-54(57)60-51-52(61-55(58)49-46-43-40-37-32-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-33-30-28-25-23-20-17-14-11-8-5-2/h7-8,10-11,15-20,24-26,28-29,31,52H,4-6,9,12-14,21-23,27,30,32-51H2,1-3H3/b10-7-,11-8-,18-15-,19-16-,20-17-,26-24-,28-25-,31-29-/t52-/m0/s1
InChIKey FPHQNVLDEFKREE-ZXLLINOHSA-N
SMILES O([C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)C(=O)CCCCCCC/C=C\CCCC
ChEBI Ontology
Outgoing TG(18:3(9Z,12Z,15Z)/14:1(9Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:196911) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-2-[(Z)-tetradec-9-enoyl]oxypropyl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate
Manual Xrefs Databases
59663741 ChemSpider
HMDB0055199 HMDB
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