CHEBI:184782 - TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))

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(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))
ChEBI ID CHEBI:184782
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C65H114O6
Net Charge 0
Average Mass 991.621
Monoisotopic Mass 990.86154
InChI InChI=1S/C65H114O6/c1-4-7-10-13-16-19-22-25-28-30-32-34-37-39-42-45-48-51-54-57-63(66)69-60-62(71-65(68)59-56-53-50-47-44-41-36-27-24-21-18-15-12-9-6-3)61-70-64(67)58-55-52-49-46-43-40-38-35-33-31-29-26-23-20-17-14-11-8-5-2/h7,10,16,19,21,24-25,28,32,34,39,42,62H,4-6,8-9,11-15,17-18,20,22-23,26-27,29-31,33,35-38,40-41,43-61H2,1-3H3/b10-7-,19-16-,24-21-,28-25-,34-32-,42-39-/t62-/m1/s1
InChIKey NKOKJDPLGJQWEN-GPIJDVMLSA-N
SMILES O(C(=O)CCCCCCCCCCCCCCCCCCCCC)C[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
ChEBI Ontology
Outgoing TG(22:0/18:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z)) (CHEBI:184782) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-3-[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]oxy-2-[(Z)-octadec-11-enoyl]oxypropyl] docosanoate
Manual Xrefs Databases
59655777 ChemSpider
HMDB0046503 HMDB
View more database links