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CHEBI:214637 - GE2270 D1

ChEBI IDCHEBI:214637
ChEBI NameGE2270 D1
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SubmitterMetaboLights
DownloadsMolfile
FormulaC53H49N15O9S6
Net Charge0
Average Mass1232.473
Monoisotopic Mass1231.21619
SMILESCc1sc2nc1C(=O)NC(C(C)C)c1nc(cs1)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/C53H49N15O9S6/c1-22(2)37-51-62-30(18-81-51)43(73)56-15-36(70)65-40(41(71)24-8-5-4-6-9-24)52-64-33(21-82-52)49-60-29(17-79-49)39-25(47-61-31(19-78-47)44(74)58-27(14-35(54)69)50-67-38(23(3)83-50)45(75)66-37)11-12-26(57-39)48-63-32(20-80-48)46-59-28(16-77-46)53(76)68-13-7-10-34(68)42(55)72/h4-6,8-9,11-12,17-22,27-28,34,37,40-41,71H,7,10,13-16H2,1-3H3,(H2,54,69)(H2,55,72)(H,56,73)(H,58,74)(H,65,70)(H,66,75)
InChIKeyLJXRVDJXWYMJFF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE2270 D1 (CHEBI:214637) is a azamacrocycle (CHEBI:52898)
GE2270 D1 (CHEBI:214637) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[18-(2-amino-2-oxoethyl)-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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