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CHEBI:71146 - N-heptacosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71146
ChEBI NameN-heptacosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-heptacosanoyl-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.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H99NO9
Net Charge0
Average Mass858.340
Monoisotopic Mass857.73198
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCC(=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/C50H99NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-32-35-38-45(54)51-42(40-59-50-49(58)48(57)47(56)44(39-52)60-50)46(55)43(53)37-34-31-28-26-25-27-30-33-36-41(2)3/h41-44,46-50,52-53,55-58H,4-40H2,1-3H3,(H,51,54)/t42-,43+,44+,46-,47+,48-,49+,50+/m0/s1
InChIKeyNFELQSVTZDRLEX-HUOQMGBQSA-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-heptacosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71146) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-heptacosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71146) is a N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:70814)
Synonym  Source
1-O-β-D-glucosyl-N-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganineChEBI