5-O-mycaminosyltylonolide (CHEBI:77011)

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CHEBI:77011 - 5-O-mycaminosyltylonolide

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ChEBI ID	CHEBI:77011
ChEBI Name	5-O-mycaminosyltylonolide
Stars
ASCII Name	5-O-mycaminosyltylonolide
Definition	A macrolide antibiotic that is tylonolide having a β-D-mycaminosyl residue attached at position 5.
Last Modified	17 January 2014
Submitter	Steve
Downloads	Molfile

Formula	C31H51NO10
Net Charge	0
Average Mass	597.746
Monoisotopic Mass	597.35130
SMILES	CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@H](N(C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1CO
InChI	InChI=1S/C31H51NO10/c1-8-25-22(16-34)13-17(2)9-10-23(35)18(3)14-21(11-12-33)30(19(4)24(36)15-26(37)41-25)42-31-29(39)27(32(6)7)28(38)20(5)40-31/h9-10,12-13,18-22,24-25,27-31,34,36,38-39H,8,11,14-16H2,1-7H3/b10-9+,17-13+/t18-,19+,20-,21+,22-,24-,25-,27+,28-,29-,30-,31+/m1/s1
InChIKey	WGUJDBLMJBJUQU-VKRLOHBMSA-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)
	5-O-mycaminosyltylonolide (CHEBI:77011) has functional parent tylactone (CHEBI:29700)
	5-O-mycaminosyltylonolide (CHEBI:77011) is a aldehyde (CHEBI:17478)
	5-O-mycaminosyltylonolide (CHEBI:77011) is a enone (CHEBI:51689)
	5-O-mycaminosyltylonolide (CHEBI:77011) is a macrolide antibiotic (CHEBI:25105)
	5-O-mycaminosyltylonolide (CHEBI:77011) is a monosaccharide derivative (CHEBI:63367)
	5-O-mycaminosyltylonolide (CHEBI:77011) is conjugate base of 5-O-mycaminosyltylonolide(1+) (CHEBI:76804)
Incoming Relation(s)
Incoming Relation(s)	5-O-mycaminosyltylonolide(1+) (CHEBI:76804) is conjugate acid of 5-O-mycaminosyltylonolide (CHEBI:77011)

IUPAC Name
(4R,5S,6S,7R,9R,11E,13E,15R,16R)-16-ethyl-4-hydroxy-15-(hydroxymethyl)-5,9,13-trimethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-β-D-glucopyranoside

Synonyms	Source
5-O-beta-D-Mycaminosyltylonolide	KEGG COMPOUND
O-Mycaminosyltylonolide	ChemIDplus
5-O-(3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl)-tylonolide	ChemIDplus
Mycaminosyltylonolide	ChemIDplus

Manual Xrefs	Databases
C12002	KEGG COMPOUND
WO2013076169	Patent
US2006014707	Patent
US4537957	Patent
CPD-15944	MetaCyc

Registry Numbers	Sources
Reaxys:4730900	Reaxys
CAS:61257-02-1	ChemIDplus