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CHEBI:71151 - N-(2-hydroxyoctacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71151
ChEBI NameN-(2-hydroxyoctacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxyoctacosanoyl)-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 28 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC51H101NO10
Net Charge0
Average Mass888.366
Monoisotopic Mass887.74255
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(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/C51H101NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-44(55)50(60)52-42(40-61-51-49(59)48(58)47(57)45(39-53)62-51)46(56)43(54)37-34-31-28-26-25-27-30-33-36-41(2)3/h41-49,51,53-59H,4-40H2,1-3H3,(H,52,60)/t42-,43+,44?,45+,46-,47+,48-,49+,51+/m0/s1
InChIKeyWJZDDPBAVXHGTK-KGVJLBNJSA-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-hydroxyoctacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71151) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyoctacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71151) 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-hydroxyoctacosanoyl)-15-methylhexadecasphinganineChEBI