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CHEBI:200117 - Thiazinotrienomycin B

ChEBI IDCHEBI:200117
ChEBI NameThiazinotrienomycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H51N3O8S
Net Charge0
Average Mass709.906
Monoisotopic Mass709.33969
SMILESCOC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCc2cc3c(c(c2O)NC(=O)C1)SCC(=O)N3
InChIInChI=1S/C38H51N3O8S/c1-23-14-13-17-27-20-29-36(50-22-32(43)40-29)33(35(27)45)41-31(42)21-28(48-4)18-11-6-5-7-12-19-30(24(2)34(23)44)49-38(47)25(3)39-37(46)26-15-9-8-10-16-26/h5-7,11-12,14,18,20,24-26,28,30,34,44-45H,8-10,13,15-17,19,21-22H2,1-4H3,(H,39,46)(H,40,43)(H,41,42)/b6-5+,12-7+,18-11?,23-14-
InChIKeyNRAZLFGRQJQEJK-BKOAXCBTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7622432)
ChEBI Ontology
Outgoing Relation(s)
Thiazinotrienomycin B (CHEBI:200117) is a azamacrocycle (CHEBI:52898)
Thiazinotrienomycin B (CHEBI:200117) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4Z,10E,12E)-6,28-dihydroxy-16-methoxy-5,7-dimethyl-18,24-dioxo-22-thia-19,25-diazatricyclo[18.7.1.021,26]octacosa-1(27),4,10,12,14,20(28),21(26)-heptaen-8-yl] 2-(cyclohexanecarbonylamino)propanoate