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CHEBI:204738 - (2S,3R,4E,8E,9′Z,12′Z)-N-9′,12′-octadecadienoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol

ChEBI IDCHEBI:204738
ChEBI Name(2S,3R,4E,8E,9′Z,12′Z)-N-9′,12′-octadecadienoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67NO3
Net Charge0
Average Mass573.947
Monoisotopic Mass573.51210
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChIInChI=1S/C37H67NO3/c1-4-6-8-10-12-13-14-15-16-17-18-19-21-23-28-32-37(41)38-35(33-39)36(40)31-27-24-26-30-34(3)29-25-22-20-11-9-7-5-2/h12-13,15-16,27,30-31,35-36,39-40H,4-11,14,17-26,28-29,32-33H2,1-3H3,(H,38,41)/b13-12-,16-15-,31-27+,34-30+/t35-,36+/m0/s1
InChIKeyFROGMNGZNQLQMS-CHVSLXALSA-N
Species of MetaboliteComponentSourceComments
Sarcomyxa serotina (ncbitaxon:40488) - PubMed (12036031)
ChEBI Ontology
Outgoing Relation(s)
(2S,3R,4E,8E,9′Z,12′Z)-N-9′,12′-octadecadienoyl-2-amino-9-methyl-4,8-octadecadiene-1,3-diol (CHEBI:204738) is a ceramide (CHEBI:17761)
IUPAC Name 
(9Z,12Z)-N-[(2S,3R,4E,8E)-1,3-dihydroxy-9-methyloctadeca-4,8-dien-2-yl]octadeca-9,12-dienamide
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