EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:212704 - (2R,3E)-N-((2S,3R,4E,8E,10E)-1,3-dihydroxyoctadeca-4,8,10-trien-2-yl)-2-hydroxy-6-methyloctadec-3-enimidic acid

ChEBI IDCHEBI:212704
ChEBI Name(2R,3E)-N-((2S,3R,4E,8E,10E)-1,3-dihydroxyoctadeca-4,8,10-trien-2-yl)-2-hydroxy-6-methyloctadec-3-enimidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H67NO4
Net Charge0
Average Mass589.946
Monoisotopic Mass589.50701
SMILESCCCCCCC/C=C/C=C/CC/C=C/[C@@H](O)[C@H](CO)NC(=O)[C@H](O)/C=C/CC(C)CCCCCCCCCCCC
InChIInChI=1S/C37H67NO4/c1-4-6-8-10-12-14-16-17-18-20-22-24-26-30-35(40)34(32-39)38-37(42)36(41)31-27-29-33(3)28-25-23-21-19-15-13-11-9-7-5-2/h16-18,20,26-27,30-31,33-36,39-41H,4-15,19,21-25,28-29,32H2,1-3H3,(H,38,42)/b17-16+,20-18+,30-26+,31-27+/t33?,34-,35+,36+/m0/s1
InChIKeyBHSPRQAUQGDECT-WJTHWUQFSA-N
Species of MetaboliteComponentSourceComments
Coolia monotis (ncbitaxon:58156) - PubMed (9599280)
ChEBI Ontology
Outgoing Relation(s)
(2R,3E)-N-((2S,3R,4E,8E,10E)-1,3-dihydroxyoctadeca-4,8,10-trien-2-yl)-2-hydroxy-6-methyloctadec-3-enimidic acid (CHEBI:212704) is a ceramide (CHEBI:17761)
IUPAC Name 
(E,2R)-N-[(2S,3R,4E,8E,10E)-1,3-dihydroxyoctadeca-4,8,10-trien-2-yl]-2-hydroxy-6-methyloctadec-3-enamide
Manual XrefsDatabases
78437472ChemSpider