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CHEBI:72998 - 1-hexadecanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:72998
ChEBI Name1-hexadecanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-sn-glycero-3-phosphocholine
DefinitionA lysophosphatidylcholine 16:0 in which a hexadecanoyl (palmitoyl) group is attached to the glycero moiety at position 1.
Secondary ChEBI IDCHEBI:73795
Last Modified22 February 2017
Submitterabridge, mwilliams
DownloadsMolfile
FormulaC24H50NO7P
Net Charge0
Average Mass495.638
Monoisotopic Mass495.33249
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
InChIKeyASWBNKHCZGQVJV-HSZRJFAPSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998) is a lysophosphatidylcholine 16:0 (CHEBI:64563)
Incoming Relation(s)
1-palmitoyl-sn-glycero-2,3-cyclic-phosphate(1−) (CHEBI:143893) has functional parent 1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998)
1-palmitoyl-2-decanoyl-sn-glycero-3-phosphocholine (CHEBI:75300) has functional parent 1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998)
1-palmitoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:75301) has functional parent 1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998)
1-palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine (CHEBI:75304) has functional parent 1-hexadecanoyl-sn-glycero-3-phosphocholine (CHEBI:72998)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-hydroxypropyl 2-(trimethylammonio)ethyl phosphate
Synonyms  Source
LPC(16:0/0:0)SUBMITTER
1-palmitoylphosphatidylcholineSUBMITTER
1-palmitoyl-sn-glycero-3-phosphocholineChEBI
LyPC(16:0)HMDB
16:0 LYSO-PCLIPID MAPS
1-palmitoyl-2-lysophosphatidylcholineChEBI
UniProt Name  Source
1-hexadecanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
CPD-8343MetaCyc
LMGP01050018LIPID MAPS
HMDB0010382HMDB
Registry NumbersSources
Reaxys:3573387Reaxys
CAS:14863-27-5ChemIDplus