CHEBI:172204 - TG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))

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(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z))
ChEBI ID CHEBI:172204
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/c1-4-7-10-13-16-19-22-25-27-29-31-33-35-38-41-44-47-50-53-56-62(65)68-59-60(58-67-61(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)69-63(66)57-54-51-48-45-42-39-36-34-32-30-28-26-23-20-17-14-11-8-5-2/h8,11,17,20,25-28,32,34,39,42,48,51,60H,4-7,9-10,12-16,18-19,21-24,29-31,33,35-38,40-41,43-47,49-50,52-59H2,1-3H3/b11-8-,20-17-,27-25-,28-26-,34-32-,42-39-,51-48-/t60-/m0/s1
InChIKey OOWBWHZLOAXAST-ZWAOLSGCSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCC)C[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
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(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)) (CHEBI:172204) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxy-3-hexadecanoyloxypropyl] (Z)-docos-13-enoate
Manual Xrefs Databases
59654043 ChemSpider
HMDB0044624 HMDB
View more database links