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CHEBI:201046 - YM-266183

ChEBI IDCHEBI:201046
ChEBI NameYM-266183
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SubmitterMetaboLights
DownloadsMolfile
FormulaC48H47N13O10S6
Net Charge0
Average Mass1158.387
Monoisotopic Mass1157.18931
SMILESC/C=C1\NC(=O)C(C(C)O)NC(=O)c2csc(n2)-c2ccc(-c3nc(-c4nc(C(=O)N/C(=C/C)C(=O)NCC(C)=O)cs4)cs3)nc2-c2csc(n2)C(C(C)O)NC(=O)c2csc(n2)C(C(C)(C)O)NC(=O)c2csc1n2
InChIInChI=1S/C48H47N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-18,20-21,32-33,35,63-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8+,24-9-
InChIKeyQFPBQHRZGAWLEX-AUVWRIHKSA-N
Species of MetaboliteComponentSourceComments
Bacillus cereus (ncbitaxon:1396) - PubMed (12715871)
ChEBI Ontology
Outgoing Relation(s)
YM-266183 (CHEBI:201046) is a azamacrocycle (CHEBI:52898)
YM-266183 (CHEBI:201046) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
2-[2-[(26Z)-26-ethylidene-12,29-bis(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-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(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(E)-1-oxo-1-(2-oxopropylamino)but-2-en-2-yl]-1,3-thiazole-4-carboxamide
Manual XrefsDatabases
78443973ChemSpider