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CHEBI:211464 - GE 2270 T

ChEBI IDCHEBI:211464
ChEBI NameGE 2270 T
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SubmitterMetaboLights
DownloadsMolfile
FormulaC56H53N15O10S6
Net Charge0
Average Mass1288.537
Monoisotopic Mass1287.24241
SMILESCNC(=O)CC1NC(=O)c2csc(n2)-c2ccc(-c3nc(-c4nc(C(=O)N5CCCC5C(N)=O)co4)cs3)nc2-c2csc(n2)-c2csc(n2)C(C(O)c2ccccc2)NC(=O)CNC(=O)c2nc(sc2COC)C(C(C)C)NC(=O)c2nc1sc2C
InChIInChI=1S/C56H53N15O10S6/c1-24(2)39-55-70-42(36(87-55)19-80-5)47(77)59-17-38(73)67-43(44(74)26-10-7-6-8-11-26)54-66-34(23-85-54)52-63-31(20-83-52)41-27(50-64-32(21-82-50)46(76)61-29(16-37(72)58-4)53-69-40(25(3)86-53)48(78)68-39)13-14-28(60-41)51-65-33(22-84-51)49-62-30(18-81-49)56(79)71-15-9-12-35(71)45(57)75/h6-8,10-11,13-14,18,20-24,29,35,39,43-44,74H,9,12,15-17,19H2,1-5H3,(H2,57,75)(H,58,72)(H,59,77)(H,61,76)(H,67,73)(H,68,78)
InChIKeyGIVOHZKWHVHHNJ-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE 2270 T (CHEBI:211464) is a azamacrocycle (CHEBI:52898)
GE 2270 T (CHEBI:211464) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-21-methyl-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]-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
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