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CHEBI:71145 - N-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71145
ChEBI NameN-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxyheptacosanoyl)-1-O-beta-D-glucosyl-15-methylhexadecasphing-4-enine
DefinitionAn N-acyl-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine in which the acyl group has 27 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC50H97NO9
Net Charge0
Average Mass856.324
Monoisotopic Mass855.71633
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=C/CCCCCCCCCC(C)C
InChIInChI=1S/C50H97NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-29-32-35-38-44(54)49(58)51-42(40-59-50-48(57)47(56)46(55)45(39-52)60-50)43(53)37-34-31-28-26-23-24-27-30-33-36-41(2)3/h34,37,41-48,50,52-57H,4-33,35-36,38-40H2,1-3H3,(H,51,58)/b37-34+/t42-,43+,44?,45+,46+,47-,48+,50+/m0/s1
InChIKeyRYTIATPQKVAZQN-WXOZRDECSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine (CHEBI:71145) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxyheptacosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine (CHEBI:71145) is a N-acyl-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine (CHEBI:70815)
Synonym  Source
1-O-β-D-glucosyl-N-(2-hydroxyheptacosanoyl)-15-methylhexadecasphing-4-enineChEBI