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CHEBI:205805 - GE2270 B1

ChEBI IDCHEBI:205805
ChEBI NameGE2270 B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H53N15O10S6
Net Charge0
Average Mass1276.526
Monoisotopic Mass1275.24241
SMILESCOCc1sc2nc1C(=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)NC(CC(N)=O)c1nc(c(C)s1)C(=O)NC2C(C)C
InChIInChI=1S/C55H53N15O10S6/c1-23(2)38-54-69-41(35(86-54)18-79-4)46(76)58-16-37(72)66-42(43(73)25-9-6-5-7-10-25)53-65-33(22-84-53)51-62-30(19-82-51)40-26(49-63-31(20-81-49)45(75)60-28(15-36(56)71)52-68-39(24(3)85-52)47(77)67-38)12-13-27(59-40)50-64-32(21-83-50)48-61-29(17-80-48)55(78)70-14-8-11-34(70)44(57)74/h5-7,9-10,12-13,19-23,28-29,34,38,42-43,73H,8,11,14-18H2,1-4H3,(H2,56,71)(H2,57,74)(H,58,76)(H,60,75)(H,66,72)(H,67,77)
InChIKeyJMKLDKKRJNPACS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE2270 B1 (CHEBI:205805) is a azamacrocycle (CHEBI:52898)
GE2270 B1 (CHEBI:205805) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[18-(2-amino-2-oxoethyl)-35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-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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