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CHEBI:176760 - 1-Palmitoyl-2-hydroxy-sn-glycero-3-PE

Default Structure
ChEBI IDCHEBI:176760
ChEBI Name1-Palmitoyl-2-hydroxy-sn-glycero-3-PE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H44NO7P
Net Charge0
Average Mass453.557
Monoisotopic Mass453.28554
SMILESCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN
InChIInChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)
InChIKeyYVYMBNSKXOXSKW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
1-Palmitoyl-2-hydroxy-sn-glycero-3-PE (CHEBI:176760) is a 1-acyl-sn-glycero-3-phosphoethanolamine (CHEBI:29017)
IUPAC Name 
[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate
Manual XrefsDatabases
80521ChemSpider
Registry NumbersSources
CAS:13190-01-7ChemIDplus