CHEBI:185066 - TG(15:0/18:3(6Z,9Z,12Z)/16:1(9Z))

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ChEBI Name TG(15:0/18:3(6Z,9Z,12Z)/16:1(9Z))
ChEBI ID CHEBI:185066
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H92O6
Net Charge 0
Average Mass 813.302
Monoisotopic Mass 812.68939
InChI InChI=1S/C52H92O6/c1-4-7-10-13-16-19-22-25-26-28-31-34-37-40-43-46-52(55)58-49(47-56-50(53)44-41-38-35-32-29-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h16,19-20,23,25-26,31,34,49H,4-15,17-18,21-22,24,27-30,32-33,35-48H2,1-3H3/b19-16-,23-20-,26-25-,34-31-/t49-/m0/s1
InChIKey UMYKFOIFSMIOSQ-WLPKLQRASA-N
SMILES O(C(=O)CCCCCCCCCCCCCC)C[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC
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(15:0/18:3(6Z,9Z,12Z)/16:1(9Z)) (CHEBI:185066) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(Z)-hexadec-9-enoyl]oxy-3-pentadecanoyloxypropan-2-yl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual Xrefs Databases
59652938 ChemSpider
HMDB0043431 HMDB
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