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CHEBI:89731 - 1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine

Default Structure
ChEBI IDCHEBI:89731
ChEBI Name1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 16:0_16:1 in which the acyl groups specified at positions 1 and 2 are palmitoleoyl and palmitoyl respectively.
Last Modified4 November 2021
DownloadsMolfile
FormulaC40H78NO8P
Net Charge0
Average Mass732.037
Monoisotopic Mass731.54651
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41(3,4)5)49-40(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h16,18,38H,6-15,17,19-37H2,1-5H3/b18-16-/t38-/m1/s1
InChIKeyIPMVHVDAYPUFKH-WYRBGLKBSA-N
Species of MetaboliteComponentSourceComments
Citrus aurantium (ncbitaxon:43166) - PubMed (32071546)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:89731) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:89731) has functional parent palmitoleic acid (CHEBI:28716)
1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:89731) has role human metabolite (CHEBI:77746)
1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:89731) has role plant metabolite (CHEBI:76924)
1-palmitoleoyl-2-palmitoyl-sn-glycero-3-phosphocholine (CHEBI:89731) is a PC(16:0_16:1) (CHEBI:167246)
IUPAC Name 
(2R)-2-(hexadecanoyloxy)-3-[(9Z)-hexadec-9-enoyloxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
1-(9Z-hexadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholineChEBI
1-(9Z-hexadecenoyl)-2-hexadecanoyl-glycero-3-phosphocholineLIPID MAPS
GPCho(16:1n7/16:0)HMDB
GPCho(16:1ω7/16:0)HMDB
PC(16:1(9Z)/16:0)LIPID MAPS
PC(16:1n7/16:0)HMDB
UniProt Name  Source
1-(9Z-hexadecenoyl)-2-hexadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
FDB025192FooDB
HMDB0008001HMDB
LMGP01011479LIPID MAPS
Citations