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CHEBI:210275 - GE2270 E

ChEBI IDCHEBI:210275
ChEBI NameGE2270 E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC54H51N15O10S6
Net Charge0
Average Mass1262.499
Monoisotopic Mass1261.22676
SMILESCc1sc2nc1C(=O)NC(C(C)C)c1nc(c(CO)s1)C(=O)NCC(=O)NC(C(O)c1ccccc1)c1nc(cs1)-c1nc(cs1)-c1nc(-c3nc(C4=NC(C(=O)N5CCCC5C(N)=O)CO4)cs3)ccc1-c1nc(cs1)C(=O)NC2CC(N)=O
InChIInChI=1S/C54H51N15O10S6/c1-22(2)37-53-68-40(34(16-70)85-53)45(76)57-15-36(72)65-41(42(73)24-8-5-4-6-9-24)52-64-32(21-83-52)50-61-29(18-81-50)39-25(48-62-30(19-80-48)44(75)59-27(14-35(55)71)51-67-38(23(3)84-51)46(77)66-37)11-12-26(58-39)49-63-31(20-82-49)47-60-28(17-79-47)54(78)69-13-7-10-33(69)43(56)74/h4-6,8-9,11-12,18-22,27-28,33,37,41-42,70,73H,7,10,13-17H2,1-3H3,(H2,55,71)(H2,56,74)(H,57,76)(H,59,75)(H,65,72)(H,66,77)
InChIKeyQMWUYUJQIOHCEK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE2270 E (CHEBI:210275) is a azamacrocycle (CHEBI:52898)
GE2270 E (CHEBI:210275) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[18-(2-amino-2-oxoethyl)-28-(hydroxymethyl)-35-[hydroxy(phenyl)methyl]-21-methyl-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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17303770ChemSpider