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CHEBI:71142 - N-(2-hydroxypentacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

ChEBI IDCHEBI:71142
ChEBI NameN-(2-hydroxypentacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxypentacosanoyl)-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 25 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC48H95NO10
Net Charge0
Average Mass846.285
Monoisotopic Mass845.69560
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(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/C48H95NO10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-29-32-35-41(52)47(57)49-39(37-58-48-46(56)45(55)44(54)42(36-50)59-48)43(53)40(51)34-31-28-25-23-22-24-27-30-33-38(2)3/h38-46,48,50-56H,4-37H2,1-3H3,(H,49,57)/t39-,40+,41?,42+,43-,44+,45-,46+,48+/m0/s1
InChIKeyTUUXFMQTJFGVPA-OKWZHYJXSA-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-hydroxypentacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71142) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxypentacosanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71142) 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-hydroxypentacosanoyl)-15-methylhexadecasphinganineChEBI