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CHEBI:220545 - GE2270 B2

ChEBI IDCHEBI:220545
ChEBI NameGE2270 B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H53N15O9S6
Net Charge0
Average Mass1260.527
Monoisotopic Mass1259.24749
SMILESCNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(C4=NC(C(=O)N5CCCC5C(N)=O)CO4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2C)C(C(C)C)NC(=O)c2nc1sc2C
InChIInChI=1S/C55H53N15O9S6/c1-23(2)38-54-69-39(24(3)85-54)46(76)58-17-37(72)66-42(43(73)26-10-7-6-8-11-26)53-65-34(22-83-53)51-62-31(19-81-51)41-27(49-63-32(20-80-49)45(75)60-29(16-36(71)57-5)52-68-40(25(4)84-52)47(77)67-38)13-14-28(59-41)50-64-33(21-82-50)48-61-30(18-79-48)55(78)70-15-9-12-35(70)44(56)74/h6-8,10-11,13-14,19-23,29-30,35,38,42-43,73H,9,12,15-18H2,1-5H3,(H2,56,74)(H,57,71)(H,58,76)(H,60,75)(H,66,72)(H,67,77)
InChIKeyUHWVQMFJEVJYGL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE2270 B2 (CHEBI:220545) is a azamacrocycle (CHEBI:52898)
GE2270 B2 (CHEBI:220545) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[35-[hydroxy(phenyl)methyl]-21,28-dimethyl-18-[2-(methylamino)-2-oxoethyl]-16,23,30,33-tetraoxo-25-propan-2-yl-3,13,20,27,37-pentathia-7,17,24,31,34,39,40,41,42,43-decazaheptacyclo[34.2.1.12,5.112,15.119,22.126,29.06,11]tritetraconta-1(38),2(43),4,6(11),7,9,12(42),14,19(41),21,26(40),28,36(39)-tridecaen-8-yl]-1,3-thiazol-4-yl]-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
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