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CHEBI:226414 - (2S,3R,4E,8E)-N-hexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol

ChEBI IDCHEBI:226414
ChEBI Name(2S,3R,4E,8E)-N-hexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H67NO3
Net Charge0
Average Mass549.925
Monoisotopic Mass549.51210
SMILESCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChIInChI=1S/C35H67NO3/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-30-35(39)36-33(31-37)34(38)29-25-22-24-28-32(3)27-23-20-18-11-9-7-5-2/h25,28-29,33-34,37-38H,4-24,26-27,30-31H2,1-3H3,(H,36,39)/b29-25+,32-28+/t33-,34+/m0/s1
InChIKeyKPPGVIOJIIETHZ-JUPSTNAXSA-N
Species of MetaboliteComponentSourceComments
Sarcomyxa serotina (ncbitaxon:40488) - PubMed (12036031)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4E,8E)-N-hexadecanoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol (CHEBI:226414) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]hexadecanamide
Manual XrefsDatabases
9278743ChemSpider