CHEBI:172257 - TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z))

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ChEBI Name TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:172257
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C63H108O6
Net Charge 0
Average Mass 961.551
Monoisotopic Mass 960.81459
InChI InChI=1S/C63H108O6/c1-4-7-10-13-16-19-22-25-28-30-31-33-36-39-42-45-48-51-54-57-63(66)69-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)59-68-62(65)56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h9,12,17-18,20-21,26-27,29,34-35,38,40,43,60H,4-8,10-11,13-16,19,22-25,28,30-33,36-37,39,41-42,44-59H2,1-3H3/b12-9-,20-17-,21-18-,29-26-,34-27-,38-35-,43-40-/t60-/m1/s1
InChIKey YNRQWDKTOVKJLW-HSSQFVEMSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(20:3n6/22:0/18:4(6Z,9Z,12Z,15Z)) (CHEBI:172257) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] docosanoate
Manual Xrefs Databases
59662406 ChemSpider
HMDB0053719 HMDB
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