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CHEBI:204531 - GE2270 C1

ChEBI IDCHEBI:204531
ChEBI NameGE2270 C1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC54H51N15O9S6
Net Charge0
Average Mass1246.500
Monoisotopic Mass1245.23184
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)c2csc(n2)C(C(C)C)NC(=O)c2nc1sc2C
InChIInChI=1S/C54H51N15O9S6/c1-23(2)38-52-63-31(19-82-52)44(74)57-16-37(71)66-41(42(72)25-9-6-5-7-10-25)53-65-34(22-83-53)50-61-30(18-80-50)40-26(48-62-32(20-79-48)45(75)59-28(15-36(70)56-4)51-68-39(24(3)84-51)46(76)67-38)12-13-27(58-40)49-64-33(21-81-49)47-60-29(17-78-47)54(77)69-14-8-11-35(69)43(55)73/h5-7,9-10,12-13,18-23,28-29,35,38,41-42,72H,8,11,14-17H2,1-4H3,(H2,55,73)(H,56,70)(H,57,74)(H,59,75)(H,66,71)(H,67,76)
InChIKeyOXJLNUWTKYJDKK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE2270 C1 (CHEBI:204531) is a azamacrocycle (CHEBI:52898)
GE2270 C1 (CHEBI:204531) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[35-[hydroxy(phenyl)methyl]-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]-4,5-dihydro-1,3-oxazole-4-carbonyl]pyrrolidine-2-carboxamide
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