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CHEBI:206804 - A10255J

ChEBI IDCHEBI:206804
ChEBI NameA10255J
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SubmitterMetaboLights
DownloadsMolfile
FormulaC43H38N14O11S3
Net Charge0
Average Mass1023.065
Monoisotopic Mass1022.20066
SMILESC=C(NC(=O)c1ccc2c(n1)-c1coc(n1)C(=C)NC(=O)C(=C)NC(=O)c1cnc(s1)C(C)NC(=O)c1cnc(s1)CNC(=O)c1cnc(o1)C(=CC)NC(=O)C(C(C)O)NC(=O)c1csc-2n1)C(N)=O
InChIInChI=1S/C43H38N14O11S3/c1-7-22-41-47-10-26(68-41)36(63)46-13-29-45-11-27(70-29)37(64)52-19(5)42-48-12-28(71-42)38(65)50-17(3)33(60)51-18(4)40-55-24(14-67-40)31-21(8-9-23(53-31)34(61)49-16(2)32(44)59)43-56-25(15-69-43)35(62)57-30(20(6)58)39(66)54-22/h7-12,14-15,19-20,30,58H,2-4,13H2,1,5-6H3,(H2,44,59)(H,46,63)(H,49,61)(H,50,65)(H,51,60)(H,52,64)(H,54,66)(H,57,62)
InChIKeyXCZCYMWDHUIDCL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jo00045a037)
ChEBI Ontology
Outgoing Relation(s)
A10255J (CHEBI:206804) is a azamacrocycle (CHEBI:52898)
A10255J (CHEBI:206804) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
2-[[17-ethylidene-12,15,22,29,36,39-hexahydroxy-14-(1-hydroxyethyl)-31-methyl-38,41-dimethylidene-43,48-dioxa-9,46,47-trithia-3,13,16,19,23,26,30,33,37,40,45,49-dodecazaheptacyclo[40.2.1.18,11.118,21.125,28.132,35.02,7]nonatetraconta-1(44),2(7),3,5,8(49),10,12,15,18,20,22,25,27,29,32,34,36,39,42(45)-nonadecaene-4-carbonyl]amino]prop-2-enimidic acid