EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:71100 - N-icosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71100
ChEBI NameN-icosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-icosanoyl-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 20 carbons and 0 double bonds.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC43H85NO9
Net Charge0
Average Mass760.151
Monoisotopic Mass759.62243
SMILESCCCCCCCCCCCCCCCCCCCC(=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/C43H85NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-25-28-31-38(47)44-35(33-52-43-42(51)41(50)40(49)37(32-45)53-43)39(48)36(46)30-27-24-21-19-18-20-23-26-29-34(2)3/h34-37,39-43,45-46,48-51H,4-33H2,1-3H3,(H,44,47)/t35-,36+,37+,39-,40+,41-,42+,43+/m0/s1
InChIKeyPPGTUXQUUKJAAY-PRMXXTTFSA-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-icosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71100) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-icosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71100) is a N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:70814)
Synonyms  Source
N-eicosanoyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganineChEBI
1-O-β-D-glucosyl-4-hydroxy-N-icosanoyl-15-methylhexadecasphinganineChEBI