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CHEBI:185212 - N-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]pentacosanimidic acid

ChEBI IDCHEBI:185212
ChEBI NameN-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]pentacosanimidic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H87NO3
Net Charge0
Average Mass666.173
Monoisotopic Mass665.66860
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)CCCCCCCCCCCCCCC
InChIInChI=1S/C43H87NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-43(47)44-41(40-45)42(46)38-36-34-32-30-28-26-16-14-12-10-8-6-4-2/h41-42,45-46H,3-40H2,1-2H3,(H,44,47)/t41-,42+/m0/s1
InChIKeyHCDLRJUFVJOBJP-ACEXITHZSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R)-1,3-Dihydroxyoctadecan-2-yl]pentacosanimidic acid (CHEBI:185212) is a ceramide (CHEBI:17761)
IUPAC Name 
N-[(2S,3R)-1,3-dihydroxyoctadecan-2-yl]pentacosanamide
Manual XrefsDatabases
HMDB0011770HMDB
24765765ChemSpider