EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:61042 - 1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:61042
ChEBI Name1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as hexadecanoyl and 9-oxononanoyl respectively.
Secondary ChEBI IDsCHEBI:61823, CHEBI:134600
Last Modified13 July 2017
SubmitterMarcus Ennis, mwilliams, Steve
DownloadsMolfile
FormulaC33H64NO9P
Net Charge0
Average Mass649.847
Monoisotopic Mass649.43187
SMILES[H]C(=O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C33H64NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(36)40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-16-17-20-23-27-35/h27,31H,5-26,28-30H2,1-4H3/t31-/m1/s1
InChIKeyPPTNNIINSOQWCE-WJOKGBTCSA-N
Species of MetaboliteComponentSourceComments
Papio hamadryas (ncbitaxon:9557) - MetaboLights (MTBLS426)
Homo sapiens (ncbitaxon:9606) - PubMed (21545139)
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Papio hamadryas metabolite  Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) has functional parent 9-oxononanoic acid (CHEBI:78700)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) has role Papio hamadryas metabolite (CHEBI:137684)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) has role human metabolite (CHEBI:77746)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine (CHEBI:61042) is a aldehyde (CHEBI:17478)
IUPAC Names 
(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(9-oxononanoyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide
(2R)-3-(hexadecanoyloxy)-2-[(9-oxononanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PONPCChEBI
1-O-palmitoyl-2-O-(9-oxononanoyl)-sn-glycero-3-PCChEBI
1-O-palmitoyl-2-O-(9'-oxononanoyl)-sn-glycero-3-phosphocholineChEBI
1-hexadecanoyl-2-(9-oxononanoyl)glycerophosphocholineChEBI
1-palmitoyl-2-(9'-oxononanoyl)glycerophosphocholineChEBI
PoxnoPCChEBI
UniProt Name  Source
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP20010008LIPID MAPS
Registry NumbersSources
Reaxys:8746399Reaxys
Citations