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CHEBI:183191 - N-(Docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine

ChEBI IDCHEBI:183191
ChEBI NameN-(Docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H77N2O6P
Net Charge0
Average Mass689.016
Monoisotopic Mass688.55192
SMILESCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)(O)OCCN)NC(=O)CCCCCCCCCCCCCCCCCCCCC
InChIInChI=1S/C38H77N2O6P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-26-28-30-32-38(42)40-36(35-46-47(43,44)45-34-33-39)37(41)31-29-27-25-23-12-10-8-6-4-2/h29,31,36-37,41H,3-28,30,32-35,39H2,1-2H3,(H,40,42)(H,43,44)/b31-29+/t36-,37+/m0/s1
InChIKeyINTONJGGXIKSRI-YPDYIYJKSA-N
Species of MetaboliteComponentSourceComments
Trypanosoma brucei (ncbitaxon:5691) cell culture (BTO:0000214) MetaboLights (MTBLS2559)
Mus musculus (ncbitaxon:10090) serum (BTO:0001239) MetaboLights (MTBLS3725)
ChEBI Ontology
Outgoing Relation(s)
N-(Docosanoyl)-tetradecasphing-4-enine-1-phosphoethanolamine (CHEBI:183191) is a phosphoethanolamine (CHEBI:36711)
IUPAC Name 
2-aminoethyl [(E,2S,3R)-2-(docosanoylamino)-3-hydroxytetradec-4-enyl] hydrogen phosphate
Manual XrefsDatabases
LMSP03020008LIPID MAPS
7826145ChemSpider