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CHEBI:216347 - 3-amino-rifamycin S

ChEBI IDCHEBI:216347
ChEBI Name3-amino-rifamycin S
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H46N2O12
Net Charge0
Average Mass710.777
Monoisotopic Mass710.30507
SMILESCO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(c3C2=O)C(=O)C(N)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C4=O
InChIInChI=1S/C37H46N2O12/c1-15-11-10-12-16(2)36(47)39-27-26(38)31(44)23-24(32(27)45)30(43)20(6)34-25(23)35(46)37(8,51-34)49-14-13-22(48-9)17(3)33(50-21(7)40)19(5)29(42)18(4)28(15)41/h10-15,17-19,22,28-29,33,41-43H,38H2,1-9H3,(H,39,47)/b11-10+,14-13+,16-12-/t15-,17+,18+,19+,22-,28-,29+,33+,37-/m0/s1
InChIKeySMPJCQGFZSDIHE-GVDHMVJUSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (28164711)
ChEBI Ontology
Outgoing Relation(s)
3-amino-rifamycin S (CHEBI:216347) is a azamacrocycle (CHEBI:52898)
3-amino-rifamycin S (CHEBI:216347) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-amino-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate
Manual XrefsDatabases
61360266ChemSpider