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CHEBI:124927 - N-[(2S,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-4,5-dihydroxy-3-oxanyl]-13-methyltetradecanamide

ChEBI IDCHEBI:124927
ChEBI NameN-[(2S,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-4,5-dihydroxy-3-oxanyl]-13-methyltetradecanamide
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC38H64N4O16
Net Charge0
Average Mass832.942
Monoisotopic Mass832.43173
SMILESCC(=O)N[C@H]1[C@H](O[C@@H]2O[C@H](CC(O)[C@H]3O[C@@H](n4ccc(=O)nc4=O)[C@H](O)[C@@H]3O)[C@H](O)[C@H](O)[C@H]2NC(=O)CCCCCCCCCCCC(C)C)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C38H64N4O16/c1-19(2)13-11-9-7-5-4-6-8-10-12-14-24(46)40-27-31(51)28(48)22(55-37(27)58-36-26(39-20(3)44)30(50)29(49)23(18-43)56-36)17-21(45)34-32(52)33(53)35(57-34)42-16-15-25(47)41-38(42)54/h15-16,19,21-23,26-37,43,45,48-53H,4-14,17-18H2,1-3H3,(H,39,44)(H,40,46)(H,41,47,54)/t21?,22-,23-,26-,27-,28+,29-,30-,31-,32+,33-,34-,35-,36+,37+/m1/s1
InChIKeyXAFNQFHOQPRGAK-BJLDJXKVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-[(2S,3R,4R,5R,6R)-2-[[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-6-[2-[(2R,3S,4R,5R)-5-(2,4-dioxo-1-pyrimidinyl)-3,4-dihydroxy-2-oxolanyl]-2-hydroxyethyl]-4,5-dihydroxy-3-oxanyl]-13-methyltetradecanamide (CHEBI:124927) is a N-acyl-hexosamine (CHEBI:21656)
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