CHEBI:89755 - 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol
ChEBI ID CHEBI:89755
ChEBI ASCII Name 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol
Definition A triacyl-sn-glycerol in which the which the acyl groups at positions 1, 2 and 3 are specified as hexadecanoyl, octadecanoyl and (9Z)-octadecenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000150339998
Download Molfile XML SDF
Formula C55H104O6
Net Charge 0
Average Mass 861.413
Monoisotopic Mass 860.78329
InChI InChI=1S/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h25,27,52H,4-24,26,28-51H2,1-3H3/b27-25-/t52-/m1/s1
InChIKey NPCZZYKITFKRQZ-FQUZZJBASA-N
SMILES O([C@H](COC(CCCCCCCCCCCCCCC)=O)COC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Homo sapiens (NCBI:txid9606) See: PubMed
Homo sapiens (NCBI:txid9606) See: MetaboLights Study
Roles Classification
Biological Role(s): human blood serum metabolite
Any metabolite (endogenous or exogenous) found in human blood serum samples.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:89755) has role human blood serum metabolite (CHEBI:85234)
1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:89755) is a triacyl-sn-glycerol (CHEBI:64615)
1-hexadecanoyl-2-octadecanoyl-3-[(9Z)-octadecenoyl]-sn-glycerol (CHEBI:89755) is a triacylglycerol 52:1 (CHEBI:90302)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-(octadecanoyloxy)propyl (9Z)-octadec-9-enoate
Synonyms Sources
1-hexadecanoyl-2-octadecanoyl-3-(9Z-octadecenoyl)-sn-glycerol LIPID MAPS
1-Palmitoyl-2-stearoyl-3-oleoyl-glycerol HMDB
1-palmitoyl-2-stearoyl-3-oleoyl-sn-glycerol ChEBI
TAG(16:0/18:0/18:1) HMDB
TAG(16:0/18:0/18:1n9) HMDB
TAG(16:0/18:0/18:1w9) HMDB
TAG(52:1) HMDB
TG(16:0/18:0/18:1(9Z)) ChEBI
TG(16:0/18:0/18:1(9Z))[iso6] LIPID MAPS
TG(16:0/18:0/18:1) HMDB
TG(16:0/18:0/18:1)[iso6] LIPID MAPS
TG(16:0/18:0/18:1n9) HMDB
TG(16:0/18:0/18:1w9) HMDB
TG(52:1) HMDB
Triacylglycerol(16:0/18:0/18:1) HMDB
Triacylglycerol(16:0/18:0/18:1n9) HMDB
Triacylglycerol(16:0/18:0/18:1w9) HMDB
Triacylglycerol(52:1) HMDB
Manual Xrefs Databases
HMDB0005367 HMDB
LMGL03010085 LIPID MAPS
View more database links
Citation
Quehenberger O, Armando AM, Brown AH, Milne SB, Myers DS, Merrill AH, Bandyopadhyay S, Jones KN, Kelly S, Shaner RL, Sullards CM, Wang E, Murphy RC, Barkley RM, Leiker TJ, Raetz CR, Guan Z, Laird GM, Six DA, Russell DW, McDonald JG, Subramaniam S, Fahy E, Dennis EA (2010)
Lipidomics reveals a remarkable diversity of lipids in human plasma.
Journal of lipid research 51, 3299-3305 [PubMed:20671299]
[show Abstract]
Last Modified
07 April 2016