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CHEBI:71150 - N-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71150
ChEBI NameN-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxyheptacosanoyl)-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 27 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO10
Net Charge0
Average Mass874.339
Monoisotopic Mass873.72690
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(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/C50H99NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28-31-34-37-43(54)49(59)51-41(39-60-50-48(58)47(57)46(56)44(38-52)61-50)45(55)42(53)36-33-30-27-25-24-26-29-32-35-40(2)3/h40-48,50,52-58H,4-39H2,1-3H3,(H,51,59)/t41-,42+,43?,44+,45-,46+,47-,48+,50+/m0/s1
InChIKeyCKWZVFIXNQOFER-AYCODBGOSA-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-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71150) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71150) 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-hydroxyheptacosanoyl)-15-methylhexadecasphinganineChEBI