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20-oxo-5-O-beta-D-mycaminosyltylonolide

Properties

Image

Occurences in reactions

MNX_ID

MNXM146069

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	0

formula

C₃₁H₅₂NO₉

charge

mass

582.36366

reference

chebi:76803

InChIKey

FERSDKADYZRIAA-CQGKBTLCSA-O

InChI

InChI=1S/C31H51NO9/c1-9-25-19(4)14-17(2)10-11-23(34)18(3)15-22(12-13-33)30(20(5)24(35)16-26(36)40-25)41-31-29(38)27(32(7)8)28(37)21(6)39-31/h10-11,13-14,18-22,24-25,27-31,35,37-38H,9,12,15-16H2,1-8H3/p+1/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1

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]([NH+](C)C)[C@H]2O)[C@@H](CC=O)C[C@@H](C)C(=O)/C=C/C(C)=C/[C@@H]1C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:76803 chebi:76803	20-oxo-5-O-beta-D-mycaminosyltylonolide (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylazaniumyl)-beta-D-glucopyranoside 5-O-beta-D-mycaminosyl-20-oxotylonolide(1+)
seed.compound:cpd31328 seedM:cpd31328	20-Oxo-5-O-beta-mycaminosyltylactone 20-oxo-5-O-beta-mycaminosyltylactone 23-Deoxy-5-O-beta-mycaminosyltylonolide 23-deoxy-O-beta-mycaminosyltylonolide
kegg.compound:C20760 keggC:C20760	20-Oxo-5-O-beta-mycaminosyltylactone 23-Deoxy-5-O-beta-mycaminosyltylonolide
CHEBI:134191 chebi:134191	20-oxo-5-O-beta-mycaminosyltylactone (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside 23-Deoxy-5-O-beta-mycaminosyltylonolide 23-Deoxy-5-O-mycaminosyltylonolide Deepoxycirramycin A1
metacyc.compound:CPD-15945 metacycM:CPD-15945	20-oxo-5-O-beta-mycaminosyltylactone 23-deoxy-O-beta-mycaminosyltylonolide
CHEBI:77009 chebi:77009	5-O-beta-D-mycaminosyl-20-oxotylonolide (4R,5S,6S,7R,9R,11E,13E,15S,16R)-16-ethyl-4-hydroxy-5,9,13,15-tetramethyl-2,10-dioxo-7-(2-oxoethyl)oxacyclohexadeca-11,13-dien-6-yl 3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranoside 20-oxo-5-O-beta-D-mycaminosyltylonolide 23-Deoxy-5-O-mycaminosyltylonolide Deepoxycirramycin A1
keggC:M_C20760 seedM:M_cpd31328	secondary/obsolete/fantasy identifier