CHEBI:184882 - TG(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))

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(18:1(11Z)/22:1(13Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:184882
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C61H110O6
Net Charge 0
Average Mass 939.545
Monoisotopic Mass 938.83024
InChI InChI=1S/C61H110O6/c1-4-7-10-13-16-19-22-25-28-29-30-31-34-37-40-43-46-49-52-55-61(64)67-58(56-65-59(62)53-50-47-44-41-38-35-32-26-23-20-17-14-11-8-5-2)57-66-60(63)54-51-48-45-42-39-36-33-27-24-21-18-15-12-9-6-3/h17,20-21,24-26,28,32,58H,4-16,18-19,22-23,27,29-31,33-57H2,1-3H3/b20-17-,24-21-,28-25-,32-26-/t58-/m1/s1
InChIKey XQLSSUQHKWUYMC-YZDRKDPZSA-N
SMILES O(C(=O)CCCCCCCCCCC/C=C\CCCCCCCC)[C@@H](COC(=O)CCCCCCCCC/C=C\CCCCCC)COC(=O)CCCCCCC/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)/22:1(13Z)/18:2(9Z,12Z)) (CHEBI:184882) is a triglyceride (CHEBI:17855)
IUPAC Name
[(2S)-1-[(9Z,12Z)-octadeca-9,12-dienoyl]oxy-3-[(Z)-octadec-11-enoyl]oxypropan-2-yl] (Z)-docos-13-enoate
Manual Xrefs Databases
59658412 ChemSpider
HMDB0049351 HMDB
View more database links