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CHEBI:71113 - N-(2-hydroxydocosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine

ChEBI IDCHEBI:71113
ChEBI NameN-(2-hydroxydocosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine
Stars
ASCII NameN-(2-hydroxydocosanoyl)-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 22 carbons and 0 double bonds and is 2-hydroxylated.
Last Modified23 November 2012
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC45H87NO9
Net Charge0
Average Mass786.189
Monoisotopic Mass785.63808
SMILESCCCCCCCCCCCCCCCCCCCCC(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/C45H87NO9/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-26-23-21-18-19-22-25-28-31-36(2)3/h29,32,36-43,45,47-52H,4-28,30-31,33-35H2,1-3H3,(H,46,53)/b32-29+/t37-,38+,39?,40+,41+,42-,43+,45+/m0/s1
InChIKeyQRAGKMONVFMYPV-KWQRXEQPSA-N
ChEBI Ontology
Outgoing Relation(s)
N-(2-hydroxydocosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine (CHEBI:71113) has functional parent 15-methylhexadecasphing-4-enine (CHEBI:70798)
N-(2-hydroxydocosanoyl)-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine (CHEBI:71113) is a N-acyl-1-O-β-D-glucosyl-15-methylhexadecasphing-4-enine (CHEBI:70815)
Synonym  Source
1-O-β-D-glucosyl-N-(2-hydroxydocosanoyl)-15-methylhexadecasphing-4-enineChEBI