CHEBI:109455 - 1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol

ChEBI IDCHEBI:109455
ChEBI Name1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol
Stars
ASCII Name1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol
DefinitionA triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, (9Z)-hexadecenoyl and (9Z)-octadecenoyl respectively.
Secondary ChEBI IDCHEBI:89766
Last Modified7 April 2016
DownloadsMolfile
FormulaC53H98O6
Net Charge0
Average Mass831.361
Monoisotopic Mass830.73634
SMILESCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C53H98O6/c1-4-7-10-13-16-19-22-25-26-29-31-34-37-40-43-46-52(55)58-49-50(59-53(56)47-44-41-38-35-32-28-24-21-18-15-12-9-6-3)48-57-51(54)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h21,24-26,50H,4-20,22-23,27-49H2,1-3H3/b24-21-,26-25-/t50-/m1/s1
InChIKeyTWJCMQZMAPGUSG-JMFJKIOKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood (UBERON:0000178) PubMed (20671299)
- PubMed (24114462)
- MetaboLights (MTBLS92)
Roles Classification
Biological Role:
human blood serum metabolite  Any metabolite (endogenous or exogenous) found in human blood serum samples.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:109455) has role human blood serum metabolite (CHEBI:85234)
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:109455) is a triacyl-sn-glycerol (CHEBI:64615)
1-hexadecanoyl-2-[(9Z)-hexadecenoyl]-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:109455) is a triacylglycerol 50:2 (CHEBI:84662)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(9Z)-hexadec-9-enoyl]oxy}propyl (9Z)-octadec-9-enoate
Synonyms  Source
TAG(16:0/16:1w7/18:1w9)HMDB
TG(16:0/16:1n7/18:1n9)HMDB
TAG(16:0/16:1/18:1)HMDB
Triacylglycerol(50:2)HMDB
1-Palmitoyl-2-palmitoleoyl-3-oleoyl-glycerolHMDB
Triacylglycerol(16:0/16:1n7/18:1n9)HMDB
Manual XrefsDatabases
HMDB0005377HMDB
LMGL03010043LIPID MAPS
Citations