CHEBI:172253 - TG(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name TG(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:172253
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/h9,12,16,18-19,21,25-29,34,40,43,60H,4-8,10-11,13-15,17,20,22-24,30-33,35-39,41-42,44-59H2,1-3H3/b12-9-,19-16-,21-18-,28-25-,29-26-,34-27-,43-40-/t60-/m1/s1
InChIKey OUEPJXXBJYGZDX-OSIFNLFLSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)[C@@H](COC(=O)CCCCCCCCC/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 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(20:1(11Z)/22:2(13Z,16Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:172253) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(Z)-icos-11-enoyl]oxy-3-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
59660610 ChemSpider
HMDB0050693 HMDB
View more database links