CHEBI:184048 - Erythromycin a enol ether

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Erythromycin a enol ether
ChEBI ID CHEBI:184048
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H65NO12
Net Charge 0
Average Mass 715.922
Monoisotopic Mass 715.45068
InChI InChI=1S/C37H65NO12/c1-14-25-37(10,43)30(40)20(4)28-18(2)16-36(9,50-28)32(49-34-27(39)24(38(11)12)15-19(3)45-34)21(5)29(22(6)33(42)47-25)48-26-17-35(8,44-13)31(41)23(7)46-26/h19-27,29-32,34,39-41,43H,14-17H2,1-13H3/t19-,20+,21+,22-,23+,24+,25-,26+,27-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
InChIKey JFVYXJKGJMUGRG-KJPZRSJGSA-N
SMILES O1[C@]2([C@H](O[C@@H]3O[C@@H](C[C@H](N(C)C)[C@H]3O)C)[C@H]([C@H](O[C@@H]4O[C@H]([C@H](O)[C@](OC)(C4)C)C)[C@H](C(O[C@@H]([C@@](O)([C@H](O)[C@H](C1=C(C2)C)C)C)CC)=O)C)C)C
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835) Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study
ChEBI Ontology
Outgoing Erythromycin a enol ether (CHEBI:184048) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(2R,3R,4S,5R,8R,9S,10S,11R,12R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-5-ethyl-3,4-dihydroxy-9-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-2,4,8,10,12,14-hexamethyl-6,15-dioxabicyclo[10.2.1]pentadec-1(14)-en-7-one
Manual Xref Database
10204903 ChemSpider
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