CHEBI:143358 - (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-13-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one

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ChEBI Name (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-13-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one
ChEBI ID CHEBI:143358
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C38H72N2O12
Net Charge 0
Average Mass 748.986
Monoisotopic Mass 748.509
InChI InChI=1S/C38H72N2O12/c1-15-26-38(10,47-14)31(42)21(4)28(39)19(2)17-36(8,45)33(52-35-29(41)25(40(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-37(9,46-13)32(43)24(7)49-27/h19-33,35,41-43,45H,15-18,39H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,28?,29-,30+,31-,32+,33-,35+,36-,37-,38-/m0/s1
InChIKey VKDDPROWZDCQFA-NGHOAWTCSA-N
SMILES O=C1O[C@H]([C@](OC)([C@@H](O)[C@@H](C(N)[C@@H](C)C[C@@]([C@H]([C@@H]([C@H]([C@@H]1C)O[C@H]2O[C@@H]([C@@H](O)[C@](C2)(OC)C)C)C)O[C@H]3O[C@H](C[C@H]([C@@H]3O)N(C)C)C)(O)C)C)C)CC
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via macrolide antibiotic )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (3R,4S,5S,6R,7R,9R,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-13-methoxy-3,5,7,9,11,13-hexamethyl-1-oxacyclotetradecan-2-one (CHEBI:143358) is a macrolide antibiotic (CHEBI:25105)