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CHEBI:71136 - N-(2-hydroxytetracosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71136
ChEBI NameN-(2-hydroxytetracosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxytetracosanoyl)-1-O-beta-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
DefinitionAn N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine in which the acyl group has 24 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC47H93NO10
Net Charge0
Average Mass832.258
Monoisotopic Mass831.67995
SMILESCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C
InChIInChI=1S/C47H93NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-28-31-34-40(51)46(56)48-38(36-57-47-45(55)44(54)43(53)41(35-49)58-47)42(52)39(50)33-30-27-24-22-21-23-26-29-32-37(2)3/h37-45,47,49-55H,4-36H2,1-3H3,(H,48,56)/t38-,39+,40?,41+,42-,43+,44-,45+,47+/m0/s1
InChIKeyXATOAUGQRUVQKV-CHIUOPMQSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxytetracosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71136) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxytetracosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71136) is a N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:70814)
Synonym  Source
1-O-β-D-glucosyl-4-hydroxy-N-(2-hydroxytetracosanoyl)-15-methylhexadecasphinganineChEBI