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CHEBI:71080 - N-(2-hydroxyhexadecanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine

Default Structure
ChEBI IDCHEBI:71080
ChEBI NameN-(2-hydroxyhexadecanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine
Stars
ASCII NameN-(2-hydroxyhexadecanoyl)-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 16 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC39H77NO10
Net Charge0
Average Mass720.042
Monoisotopic Mass719.55475
SMILESCCCCCCCCCCCCCCC(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/C39H77NO10/c1-4-5-6-7-8-9-10-11-12-17-20-23-26-32(43)38(48)40-30(28-49-39-37(47)36(46)35(45)33(27-41)50-39)34(44)31(42)25-22-19-16-14-13-15-18-21-24-29(2)3/h29-37,39,41-47H,4-28H2,1-3H3,(H,40,48)/t30-,31+,32?,33+,34-,35+,36-,37+,39+/m0/s1
InChIKeyGDNGVGFYDMGERE-QAXDFYDYSA-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-hydroxyhexadecanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71080) has functional parent 15-methylhexadecaphytosphingosine (CHEBI:70968)
N-(2-hydroxyhexadecanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:71080) is a N-acyl-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganine (CHEBI:70814)
Synonym  Source
N-(2-hydroxyhexadecanoyl)-1-O-β-D-glucosyl-4-hydroxy-15-methylhexadecasphinganineChEBI