EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:552760 - (1R)-1,5-anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol

ChEBI IDCHEBI:552760
ChEBI Name(1R)-1,5-anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol
Stars
ASCII Name(1R)-1,5-anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol
DefinitionA C-glycosylphytoceramide consisting of 1-O-(α-D-galactopyranosyl)-N-hexacosanylphytosphingosine with the anomeric oxygen replaced by a methylene group.
Last Modified13 February 2014
DownloadsMolfile
FormulaC51H101NO8
Net Charge0
Average Mass856.368
Monoisotopic Mass855.75272
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CC[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
InChIInChI=1S/C51H101NO8/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-47(55)52-43(40-41-45-49(57)51(59)50(58)46(42-53)60-45)48(56)44(54)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h43-46,48-51,53-54,56-59H,3-42H2,1-2H3,(H,52,55)/t43-,44+,45+,46+,48-,49-,50-,51+/m0/s1
InChIKeyBNYLLEHBKIGJHB-XHSUSRKPSA-N
ChEBI Ontology
Outgoing Relation(s)
(1R)-1,5-anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol (CHEBI:552760) is a C-glycosylphytoceramide (CHEBI:60910)
IUPAC Name 
(1R)-1,5-anhydro-1-[(3S,4S,5R)-3-(hexacosanoylamino)-4,5-dihydroxynonadecyl]-D-galactitol
Synonyms  Source
(2S,3S,4R)-1-CH2-(α-D-galactopyranosyl)-2-hexacosanamido-1,3,4-octadecanetriolChEBI
(2S,3S,4R)-1-CH2-(α-D-galactopyranosyl)-2-(N-hexacosanoylamino)-1,3,4-octadecanetriolChEBI
(3'S,4'S,5'R)-1-C-(3'-hexacosanoylamino-4',5'-dihydroxynonadecyl)-α-D-galactopyranosideChEBI
Registry NumbersSources
Reaxys:9984901Reaxys
Citations