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CHEBI:207881 - Sulfadixiamycin C

ChEBI IDCHEBI:207881
ChEBI NameSulfadixiamycin C
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)c2c3c(cc5c2nc2ccccc25)[C@@]2(C)CC[C@H](O)[C@@](C)(C(=O)O)[C@@H]2CC3)cc14
InChIInChI=1S/C46H48N2O8S/c1-43-17-15-37(49)45(3,41(51)52)35(43)13-9-23-19-34-28(21-30(23)43)27-20-24(10-12-33(27)47-34)57(55,56)40-26-11-14-36-44(2,18-16-38(50)46(36,4)42(53)54)31(26)22-29-25-7-5-6-8-32(25)48-39(29)40/h5-8,10,12,19-22,35-38,47-50H,9,11,13-18H2,1-4H3,(H,51,52)(H,53,54)/t35-,36-,37+,38+,43-,44-,45+,46+/m1/s1
InChIKeyJUHALZHBXHSBMH-LPHIXDDYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces albus (ncbitaxon:1888) - PubMed (26366473)
ChEBI Ontology
Outgoing Relation(s)
Sulfadixiamycin C (CHEBI:207881) 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(13),2,4,6,8,11-hexaen-12-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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