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CHEBI:215589 - GE 2270 C2a

ChEBI IDCHEBI:215589
ChEBI NameGE 2270 C2a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H55N15O11S6
Net Charge0
Average Mass1306.552
Monoisotopic Mass1305.25297
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)c2nc1sc2CO
InChIInChI=1S/C56H55N15O11S6/c1-24(2)39-55-70-42(36(88-55)19-81-4)47(78)59-16-38(74)67-43(44(75)25-9-6-5-7-10-25)54-66-33(23-86-54)52-63-30(20-84-52)40-26(50-64-31(21-83-50)46(77)61-28(15-37(73)58-3)53-69-41(48(79)68-39)35(17-72)87-53)12-13-27(60-40)51-65-32(22-85-51)49-62-29(18-82-49)56(80)71-14-8-11-34(71)45(57)76/h5-7,9-10,12-13,20-24,28-29,34,39,43-44,72,75H,8,11,14-19H2,1-4H3,(H2,57,76)(H,58,73)(H,59,78)(H,61,77)(H,67,74)(H,68,79)
InChIKeyIIQOXAKYPRUUNK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Planobispora rosea (ncbitaxon:35762) - PubMed (7647369)
ChEBI Ontology
Outgoing Relation(s)
GE 2270 C2a (CHEBI:215589) is a azamacrocycle (CHEBI:52898)
GE 2270 C2a (CHEBI:215589) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
1-[2-[2-[21-(hydroxymethyl)-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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