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CHEBI:95144 - acetic acid [(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[[(3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-8-[[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] ester

ChEBI IDCHEBI:95144
ChEBI Nameacetic acid [(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[[(3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-8-[[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] ester
Stars
Last Modified3 March 2016
DownloadsMolfile
FormulaC41H67NO15
Net Charge0
Average Mass813.979
Monoisotopic Mass813.45107
SMILESCO[C@H]1C[C@H](O[C@H]2[C@H](C)[C@@H](OC3O[C@H](C)C[C@H](N(C)C)[C@H]3OC(C)=O)[C@@H](C)C[C@]3(CO3)C(=O)[C@H](C)[C@@H](OC(C)=O)[C@@H](C)[C@@H](C)OC(=O)[C@@H]2C)O[C@@H](C)[C@@H]1OC(C)=O
InChIInChI=1S/C41H67NO15/c1-19-17-41(18-49-41)38(46)23(5)34(53-27(9)43)21(3)25(7)52-39(47)24(6)35(56-32-16-31(48-14)36(26(8)51-32)54-28(10)44)22(4)33(19)57-40-37(55-29(11)45)30(42(12)13)15-20(2)50-40/h19-26,30-37,40H,15-18H2,1-14H3/t19-,20+,21-,22+,23+,24+,25+,26-,30-,31-,32-,33-,34-,35-,36-,37+,40?,41-/m0/s1
InChIKeyLQCLVBQBTUVCEQ-RFHKDOLOSA-N
ChEBI Ontology
Outgoing Relation(s)
acetic acid [(3S,5S,6S,7R,8S,9R,12R,13S,14S,15R)-6-[[(3R,4S,6R)-3-acetyloxy-4-(dimethylamino)-6-methyl-2-oxanyl]oxy]-8-[[(2R,4S,5S,6S)-5-acetyloxy-4-methoxy-6-methyl-2-oxanyl]oxy]-5,7,9,12,13,15-hexamethyl-10,16-dioxo-1,11-dioxaspiro[2.13]hexadecan-14-yl] ester (CHEBI:95144) is a aminoglycoside (CHEBI:47779)
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