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CHEBI:208018 - GE2270 C2b

ChEBI IDCHEBI:208018
ChEBI NameGE2270 C2b
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SubmitterMetaboLights
DownloadsMolfile
FormulaC55H53N15O10S6
Net Charge0
Average Mass1276.526
Monoisotopic Mass1275.24241
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)c2nc(sc2COC)C(C(C)C)NC(=O)c2csc1n2
InChIInChI=1S/C55H53N15O10S6/c1-24(2)39-54-69-41(36(86-54)18-79-4)47(77)58-16-38(72)67-42(43(73)25-9-6-5-7-10-25)53-66-34(23-85-53)52-62-30(19-82-52)40-26(49-63-31(20-81-49)45(75)60-28(15-37(71)57-3)51-64-32(21-83-51)46(76)68-39)12-13-27(59-40)50-65-33(22-84-50)48-61-29(17-80-48)55(78)70-14-8-11-35(70)44(56)74/h5-7,9-10,12-13,19-24,28-29,35,39,42-43,73H,8,11,14-18H2,1-4H3,(H2,56,74)(H,57,71)(H,58,77)(H,60,75)(H,67,72)(H,68,76)
InChIKeySLDBAJVNQZKUKX-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE2270 C2b (CHEBI:208018) is a azamacrocycle (CHEBI:52898)
GE2270 C2b (CHEBI:208018) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[35-[hydroxy(phenyl)methyl]-28-(methoxymethyl)-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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