CHEBI:172279 - TG(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))

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(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:172279
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/h16,18-19,21,25,27-28,31,33-34,38,40-41,43,60H,4-15,17,20,22-24,26,29-30,32,35-37,39,42,44-59H2,1-3H3/b19-16-,21-18-,28-25-,33-31-,34-27-,41-38-,43-40-/t60-/m1/s1
InChIKey VXQFNKDTBNYFRT-ZPLHHHHXSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCC)[C@@H](COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
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(18:3(6Z,9Z,12Z)/20:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:172279) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-icosanoyloxy-3-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyl]oxypropyl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xref Database
LMGL03016427 LIPID MAPS
View more database links