CHEBI:184860 - TG(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))

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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(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:184860
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H100O6
Net Charge 0
Average Mass 929.465
Monoisotopic Mass 928.75199
InChI InChI=1S/C61H100O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-36-39-42-45-48-51-54-60(63)66-57-58(67-61(64)55-52-49-46-43-40-37-33-27-24-21-18-15-12-9-6-3)56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2/h9,12,16,18-21,23,25,27-28,30-31,33,36,39,45,48,58H,4-8,10-11,13-15,17,22,24,26,29,32,34-35,37-38,40-44,46-47,49-57H2,1-3H3/b12-9-,19-16-,21-18-,23-20-,28-25-,31-30-,33-27-,39-36-,48-45-/t58-/m0/s1
InChIKey YJGSRUSBXRDZRR-UWDGBWHKSA-N
SMILES O(C(=O)CCCCCCCCC/C=C\CCCCCC)C[C@H](OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC
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(18:1(11Z)/18:3(9Z,12Z,15Z)/22:5(4Z,7Z,10Z,13Z,16Z)) (CHEBI:184860) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropyl] (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoate
Manual Xrefs Databases
59658619 ChemSpider
HMDB0049568 HMDB
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