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CHEBI:71115 - N-(2-hydroxyhenicosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71115
ChEBI NameN-(2-hydroxyhenicosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxyhenicosanoyl)-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 21 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC44H87NO10
Net Charge0
Average Mass790.177
Monoisotopic Mass789.63300
SMILESCCCCCCCCCCCCCCCCCCCC(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/C44H87NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-37(48)43(53)45-35(33-54-44-42(52)41(51)40(50)38(32-46)55-44)39(49)36(47)30-27-24-21-19-18-20-23-26-29-34(2)3/h34-42,44,46-52H,4-33H2,1-3H3,(H,45,53)/t35-,36+,37?,38+,39-,40+,41-,42+,44+/m0/s1
InChIKeyQLUAQQQJKLZOCT-LSYCBJLYSA-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-hydroxyhenicosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71115) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyhenicosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71115) is a N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:70814)
Synonyms  Source
N-(2-hydroxyheneicosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganineChEBI
1-O-β-D-glucosyl-4-hydroxy-N-(2-hydroxyhenicosanoyl)-15-methylhexadecasphinganineChEBI
1-O-β-D-glucosyl-4-hydroxy-N-(2-hydroxyheneicosanoyl)-15-methylhexadecasphinganineChEBI