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CHEBI:206313 - Sulfadixiamycin B

ChEBI IDCHEBI:206313
ChEBI NameSulfadixiamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H48N2O8S
Net Charge0
Average Mass788.963
Monoisotopic Mass788.31314
SMILESC[C@@]1(C(=O)O)[C@@H](O)CC[C@]2(C)c3cc4c(cc3CC[C@@H]12)nc1ccc(S(=O)(=O)c2ccc3nc5cc6c(cc5c3c2)[C@@]2(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]2CC6)cc14
InChIInChI=1S/C46H48N2O8S/c1-43-15-13-39(49)45(3,41(51)52)37(43)11-5-23-17-35-29(21-31(23)43)27-19-25(7-9-33(27)47-35)57(55,56)26-8-10-34-28(20-26)30-22-32-24(18-36(30)48-34)6-12-38-44(32,2)16-14-40(50)46(38,4)42(53)54/h7-10,17-22,37-40,47-50H,5-6,11-16H2,1-4H3,(H,51,52)(H,53,54)/t37-,38-,39+,40+,43-,44-,45+,46+/m1/s1
InChIKeyRVJXPFRHRQFKKH-IPPPMHIGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces albus (ncbitaxon:1888) - PubMed (26366473)
ChEBI Ontology
Outgoing Relation(s)
Sulfadixiamycin B (CHEBI:206313) is a hydroxy steroid (CHEBI:35350)
IUPAC Name 
(16R,17S,18S,21S)-6-[[(16R,17S,18S,21S)-17-carboxy-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12-hexaen-6-yl]sulonyl]-18-hydroxy-17,21-dimethyl-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4(9),5,7,12-hexaene-17-carboxylic acid
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