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

PropertiesImage
MNX_IDMNXM146069 Image of MNXM146069
referencechebi:76803
formulaC31H52NO9
global charge1
mol weight582.755
InChIKeyFERSDKADYZRIAA-CQGKBTLCSA-O
InChIInChI=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
SMILESCC[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
MNX internals
InChI (mnx)InChI=1/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/b11-10+,17-14+/t18-,19+,20+,21-,22+,24-,25-,27+,28-,29-,30-,31+/m1/s1 Image of MNXM146069
SMILES (mnx)[CH3:1][CH2:9][C@@H:25]1[C@@H:19]([CH3:4])/[CH:14]=[C:17]([CH3:2])/[CH:10]=[CH:11]/[C:23](=[O:34])[C@H:18]([CH3:3])[CH2:15][C@H:22]([CH2:12][CH:13]=[O:33])[C@H:30]([O:41][C@H:31]2[C@H:29]([OH:38])[C@@H:27]([N:32]([CH3:7])[CH3:8])[C@H:28]([OH:37])[C@@H:21]([CH3:6])[O:39]2)[C@@H:20]([CH3:5])[C@H:24]([OH:35])[CH2:16][C:26](=[O:36])[O:40]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:76803
chebi:76803
FERSDKADYZRIAA-CQGKBTLCSA-O 		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
FERSDKADYZRIAA-CQGKBTLCSA-O 		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
FERSDKADYZRIAA-CQGKBTLCSA-N 		20-Oxo-5-O-beta-mycaminosyltylactone
23-Deoxy-5-O-beta-mycaminosyltylonolide

CHEBI:134191
chebi:134191
FERSDKADYZRIAA-CQGKBTLCSA-N 		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
FERSDKADYZRIAA-CQGKBTLCSA-O 		20-oxo-5-O-beta-mycaminosyltylactone
23-deoxy-O-beta-mycaminosyltylonolide

CHEBI:77009
chebi:77009
FERSDKADYZRIAA-CQGKBTLCSA-N 		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