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CHEBI:186452 - 1-O-cerotoyl-Cer(d18:1/18:0)

ChEBI IDCHEBI:186452
ChEBI Name1-O-cerotoyl-Cer(d18:1/18:0)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H121NO4
Net Charge0
Average Mass944.653
Monoisotopic Mass943.92956
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C62H121NO4/c1-4-7-10-13-16-19-22-25-27-28-29-30-31-32-33-34-36-39-42-45-48-51-54-57-62(66)67-58-59(60(64)55-52-49-46-43-40-37-24-21-18-15-12-9-6-3)63-61(65)56-53-50-47-44-41-38-35-26-23-20-17-14-11-8-5-2/h52,55,59-60,64H,4-51,53-54,56-58H2,1-3H3,(H,63,65)/b55-52+/t59-,60+/m0/s1
InChIKeyATNDGCIAZHEVAS-BSMXZJJGSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
1-O-cerotoyl-Cer(d18:1/18:0) (CHEBI:186452) is a fatty acid ester (CHEBI:35748)
IUPAC Name 
[(E,2S,3R)-3-hydroxy-2-(octadecanoylamino)octadec-4-enyl] hexacosanoate
Manual XrefsDatabases
113381347ChemSpider
LMSP02040017LIPID MAPS