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mycinamicin III

PropertiesImage
MNX_IDMNXM2694 Image of MNXM2694
referencechebi:63308
formulaC36H60NO11
global charge1
mol weight682.872
InChIKeyFPIDCOOKEJFXFI-WKUFBULYSA-O
InChIInChI=1S/C36H59NO11/c1-10-28-25(19-44-36-34(43-9)32(42)30(40)24(6)46-36)13-11-12-14-27(38)21(3)17-22(4)33(20(2)15-16-29(39)47-28)48-35-31(41)26(37(7)8)18-23(5)45-35/h11-16,20-26,28,30-36,40-42H,10,17-19H2,1-9H3/p+1/b13-11+,14-12+,16-15+/t20-,21+,22-,23+,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+/m0/s1
SMILESCC[C@H]1OC(=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H]([NH+](C)C)[C@H]2O)[C@@H](C)C[C@@H](C)C(=O)/C=C/C=C/[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](O)[C@H]1OC
MNX internals
InChI (mnx)InChI=1/C36H59NO11/c1-10-28-25(19-44-36-34(43-9)32(42)30(40)24(6)46-36)13-11-12-14-27(38)21(3)17-22(4)33(20(2)15-16-29(39)47-28)48-35-31(41)26(37(7)8)18-23(5)45-35/h11-16,20-26,28,30-36,40-42H,10,17-19H2,1-9H3/b13-11+,14-12+,16-15+/t20-,21+,22-,23+,24+,25+,26-,28+,30+,31+,32+,33+,34+,35-,36+/m0/s1 Image of MNXM2694
SMILES (mnx)[CH3:1][CH2:10][C@@H:28]1[C@@H:25]([CH2:19][O:44][C@H:36]2[C@H:34]([O:43][CH3:9])[C@H:32]([OH:42])[C@H:30]([OH:40])[C@@H:24]([CH3:6])[O:46]2)/[CH:13]=[CH:11]/[CH:12]=[CH:14]/[C:27](=[O:38])[C@H:21]([CH3:3])[CH2:17][C@H:22]([CH3:4])[C@H:33]([O:48][C@H:35]2[C@H:31]([OH:41])[C@@H:26]([N:37]([CH3:7])[CH3:8])[CH2:18][C@@H:23]([CH3:5])[O:45]2)[C@@H:20]([CH3:2])/[CH:15]=[CH:16]/[C:29](=[O:39])[O:47]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63308
chebi:63308
FPIDCOOKEJFXFI-WKUFBULYSA-O 		mycinamicin III
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylazaniumyl)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside
mycinamicin III cation
mycinamicin III(1+)

kegg.compound:C15681
keggC:C15681
FPIDCOOKEJFXFI-WKUFBULYSA-N 		Mycinamicin III

seed.compound:cpd11322
seedM:cpd11322
FPIDCOOKEJFXFI-WKUFBULYSA-O 		Mycinamicin III
mycinamicin III
mycinamicin IX

CHEBI:63207
chebi:63207
FPIDCOOKEJFXFI-WKUFBULYSA-N 		mycinamicin III
[(2R,3R,4E,6E,9R,11S,12S,13S,14E)-2-ethyl-9,11,13-trimethyl-8,16-dioxo-12-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}oxacyclohexadeca-4,6,14-trien-3-yl]methyl 6-deoxy-2-O-methyl-beta-D-allopyranoside

metacyc.compound:CPD-13820
metacycM:CPD-13820
FPIDCOOKEJFXFI-WKUFBULYSA-O 		mycinamicin III
mycinamicin IX

keggC:M_C15681
seedM:M_cpd11322 		secondary/obsolete/fantasy identifier