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5-O-beta-D-mycaminosyltylonolide

MNXM6933 is deprecated and here replaced by MNXM739498
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM739498 Image of MNXM739498
referencechebi:76804
formulaC31H52NO10
global charge1
mol weight598.754
InChIKeyWGUJDBLMJBJUQU-VKRLOHBMSA-O
InChIInChI=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/p+1/b10-9+,17-13+/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]1CO
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM739498
SMILES (mnx)[CH3:1][CH2:8][C@@H:25]1[C@@H:22]([CH2:16][OH:34])/[CH:13]=[C:17]([CH3:2])/[CH:9]=[CH:10]/[C:23](=[O:35])[C@H:18]([CH3:3])[CH2:14][C@H:21]([CH2:11][CH:12]=[O:33])[C@H:30]([O:42][C@H:31]2[C@H:29]([OH:39])[C@@H:27]([N:32]([CH3:6])[CH3:7])[C@H:28]([OH:38])[C@@H:20]([CH3:5])[O:40]2)[C@@H:19]([CH3:4])[C@H:24]([OH:36])[CH2:15][C:26](=[O:37])[O:41]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:76804
chebi:76804
WGUJDBLMJBJUQU-VKRLOHBMSA-O 		5-O-beta-D-mycaminosyltylonolide
(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-(dimethylazaniumyl)-beta-D-glucopyranoside
5-O-mycaminosyltylonolide(1+)

kegg.compound:C12002
keggC:C12002
WGUJDBLMJBJUQU-VKRLOHBMSA-N 		5-O-beta-D-Mycaminosyltylonolide

seed.compound:cpd08799
seedM:cpd08799
WGUJDBLMJBJUQU-VKRLOHBMSA-O 		5-O-beta-D-Mycaminosyltylonolide
5-O-beta-mycaminosyltylonolide

metacyc.compound:CPD-15944
metacycM:CPD-15944
WGUJDBLMJBJUQU-VKRLOHBMSA-O 		5-O-beta-mycaminosyltylonolide

CHEBI:77011
chebi:77011
WGUJDBLMJBJUQU-VKRLOHBMSA-N 		5-O-mycaminosyltylonolide
(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)-beta-D-glucopyranoside
5-O-(3,6-dideoxy-3-(dimethylamino)-beta-D-glucopyranosyl)-tylonolide
5-O-beta-D-Mycaminosyltylonolide
Mycaminosyltylonolide
O-Mycaminosyltylonolide

keggC:M_C12002
seedM:M_cpd08799 		secondary/obsolete/fantasy identifier