(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)

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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 ID	CHEBI:143358
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
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C38H72N2O12
Net Charge	0
Average Mass	748.996
Monoisotopic Mass	748.50853
SMILES	CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C)[C@@H]2O)[C@@](C)(O)C[C@H](C)C(N)[C@@H](C)[C@H](O)[C@@]1(C)OC
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

Roles Classification

Biological Role:

antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.

ChEBI Ontology

Outgoing Relation(s)
	(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)