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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:61042
ChEBI ASCII Name 1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as hexadecanoyl and 9-oxononanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:61823, CHEBI:134600
Supplier Information
Download Molfile XML SDF
more structures >>
Formula C33H64NO9P
Net Charge 0
Average Mass 649.838
Monoisotopic Mass 649.43187
InChI InChI=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
InChIKey PPTNNIINSOQWCE-WJOKGBTCSA-N
SMILES O([C@H](COC(=O)CCCCCCCCCCCCCCC)COP(OCC[N+](C)(C)C)(=O)[O-])C(=O)CCCCCCCC([H])=O
Metabolite of Species Details
Papio hamadryas (NCBI:txid9557) See: MetaboLights Study
Homo sapiens (NCBI:txid9606) See: PubMed
Roles Classification
Biological Role(s): Papio hamadryas metabolite
Any mammalian metabolite produced during a metabolic reaction in Papio hamadryas.
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
(2R)-3-(hexadecanoyloxy)-2-[(9-oxononanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(9-oxononanoyl)oxy]-3,5,9-trioxa-4-phosphapentacosan-1-aminium 4-oxide
Synonyms Sources
1-hexadecanoyl-2-(9'-oxononanoyl)glycerophosphocholine ChEBI
1-hexadecanoyl-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphocholine LIPID MAPS
1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine UniProt
1-hexadecanoyl-2-(9-oxononanoyl)glycerophosphocholine ChEBI
1-O-palmitoyl-2-O-(9'-oxononanoyl)-sn-glycero-3-phosphocholine ChEBI
1-O-palmitoyl-2-O-(9-oxononanoyl)-sn-glycero-3-PC ChEBI
1-palmitoyl-2-(9'-oxononanoyl)-sn-glycero-3-phosphocholine ChEBI
1-palmitoyl-2-(9'-oxononanoyl)glycerophosphocholine ChEBI
1-palmitoyl-2-(9-oxo-nonanoyl)-sn-glycero-3-phosphocholine LIPID MAPS
PC(16:0/9:0(CHO)) LIPID MAPS
phosphatidylcholine (16:0/9:0(CHO)) ChEBI
PONPC ChEBI
PoxnoPC ChEBI
Manual Xref Database
LMGP20010008 LIPID MAPS
View more database links
Registry Number Type Source
8746399 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11744722 PubMed citation Europe PMC
12118999 PubMed citation Europe PMC
16341241 PubMed citation Europe PMC
16581831 PubMed citation Europe PMC
18315024 PubMed citation Europe PMC
18440299 PubMed citation Europe PMC
20060379 PubMed citation Europe PMC
20462500 PubMed citation Europe PMC
21545139 PubMed citation Europe PMC
24021586 PubMed citation Europe PMC
25219896 PubMed citation Europe PMC
25736244 PubMed citation Europe PMC
26125947 PubMed citation Europe PMC
26517192 PubMed citation Europe PMC
26634972 PubMed citation Europe PMC
27421664 PubMed citation Europe PMC
Last Modified
13 July 2017