CHEBI:172165 - TG(22:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))

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ChEBI Name TG(22:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:172165
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/c1-4-7-10-13-16-19-22-25-28-30-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-34-27-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-32-29-26-23-20-17-14-11-8-5-2/h9,12,18,21,26-27,29,34,36,39-40,43,45,48,60H,4-8,10-11,13-17,19-20,22-25,28,30-33,35,37-38,41-42,44,46-47,49-59H2,1-3H3/b12-9-,21-18-,29-26-,34-27-,39-36-,43-40-,48-45-/t60-/m1/s1
InChIKey SKHLSBUQCIIWTN-JOOPXESASA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC)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 Pooled sample (NCIT:C45910). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(22:0/20:3(5Z,8Z,11Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:172165) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropyl] docosanoate
Manual Xrefs Databases
59655839 ChemSpider
HMDB0046575 HMDB
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