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CHEBI:203980 - YM-266184

ChEBI IDCHEBI:203980
ChEBI NameYM-266184
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SubmitterMetaboLights
DownloadsMolfile
FormulaC49H49N13O10S6
Net Charge0
Average Mass1172.414
Monoisotopic Mass1171.20496
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)OC)NC(=O)c2csc(n2)C(C(C)(C)O)NC(=O)c2csc1n2
InChIInChI=1S/C49H49N13O10S6/c1-9-24(37(65)50-13-20(3)63)52-38(66)28-16-75-46(57-28)32-19-76-45(59-32)26-12-11-23-35(51-26)27-14-77-47(54-27)34(22(5)72-8)61-40(68)30-18-78-48(58-30)36(49(6,7)71)62-41(69)31-17-74-44(56-31)25(10-2)53-42(70)33(21(4)64)60-39(67)29-15-73-43(23)55-29/h9-12,14-19,21-22,33-34,36,64,71H,13H2,1-8H3,(H,50,65)(H,52,66)(H,53,70)(H,60,67)(H,61,68)(H,62,69)/b24-9+,25-10-
InChIKeyDOYFHLROJAEHDR-BCTCXFRGSA-N
Species of MetaboliteComponentSourceComments
Bacillus cereus (ncbitaxon:1396) - PubMed (12715871)
ChEBI Ontology
Outgoing Relation(s)
YM-266184 (CHEBI:203980) is a azamacrocycle (CHEBI:52898)
YM-266184 (CHEBI:203980) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
2-[2-[(26Z)-26-ethylidene-29-(1-hydroxyethyl)-19-(2-hydroxypropan-2-yl)-12-(1-methoxyethyl)-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
78444064ChemSpider