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CHEBI:214279 - Thiazomycin E1

ChEBI IDCHEBI:214279
ChEBI NameThiazomycin E1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H55N13O16S5
Net Charge0
Average Mass1254.400
Monoisotopic Mass1253.24933
SMILESC=C(NC(=O)c1csc(-c2nc3c(cc2O)-c2nc(cs2)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(=C(C)OC)c2nc(cs2)C(=O)N[C@@H]([C@H](O)[C@H](O[C@H]2C[C@](C)(O)[C@H](N(C)C)[C@H](C)O2)C(=O)O)c2nc(cs2)C(=O)N[C@@H](CO)c2nc-3cs2)n1)C(N)=O
InChIInChI=1S/C50H55N13O16S5/c1-17(38(51)68)52-39(69)24-14-83-47(57-24)33-28(66)9-21-32(59-33)23-12-81-45(54-23)22(11-64)53-40(70)25-15-84-48(58-25)34(35(67)36(49(74)75)79-29-10-50(5,76)37(63(6)7)20(4)78-29)62-42(72)27-16-82-46(56-27)31(19(3)77-8)61-43(73)30(18(2)65)60-41(71)26-13-80-44(21)55-26/h9,12-16,18,20,22,29-30,34-37,64-67,76H,1,10-11H2,2-8H3,(H2,51,68)(H,52,69)(H,53,70)(H,60,71)(H,61,73)(H,62,72)(H,74,75)/t18-,20+,22+,29+,30+,34+,35+,36+,37-,50+/m1/s1
InChIKeyMVHBCLZSBYPNKG-ZBCGVCIPSA-N
Species of MetaboliteComponentSourceComments
Actinokineospora fastidiosa (ncbitaxon:1816) - PubMed (19334707)
ChEBI Ontology
Outgoing Relation(s)
Thiazomycin E1 (CHEBI:214279) is a aminoglycoside (CHEBI:47779)
IUPAC Name 
(2S,3S)-3-[(12S,19S,29S)-5-[4-[(3-amino-3-oxoprop-1-en-2-yl)carbamoyl]-1,3-thiazol-2-yl]-4-hydroxy-29-[(1R)-1-hydroxyethyl]-12-(hydroxymethyl)-26-(1-methoxyethylidene)-14,21,28,31-tetraoxo-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2,4,6,8,11(38),15,18(37),22,25(36),32-undecaen-19-yl]-2-[(2S,4S,5R,6S)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-3-hydroxypropanoic acid
Manual XrefsDatabases
78440489ChemSpider