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CHEBI:221273 - Sipanmycin B

ChEBI IDCHEBI:221273
ChEBI NameSipanmycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H73N3O8
Net Charge0
Average Mass808.114
Monoisotopic Mass807.53977
SMILESCC[C@H](C)C/C1=C\C(C)=C\C=C\C=C\[C@@](C)(O)[C@@H](O[C@@H]2OC[C@@H](O[C@H]3C[C@@](C)(O)[C@H](N(C)C)[C@@H](C)O3)[C@H](O)[C@H]2N)/C=C\C=C\C(C)=C\C=C\C(C)=C\C[C@H](C)NC1=O
InChIInChI=1S/C47H73N3O8/c1-12-31(2)27-37-28-34(5)20-14-13-17-26-46(8,53)39(23-16-15-19-32(3)21-18-22-33(4)24-25-35(6)49-44(37)52)58-45-41(48)42(51)38(30-55-45)57-40-29-47(9,54)43(50(10)11)36(7)56-40/h13-24,26,28,31,35-36,38-43,45,51,53-54H,12,25,27,29-30,48H2,1-11H3,(H,49,52)/b14-13+,19-15+,22-18+,23-16-,26-17+,32-21+,33-24+,34-20+,37-28+/t31-,35-,36+,38+,39-,40-,41+,42-,43+,45-,46+,47+/m0/s1
InChIKeyJUGFVCLVHGQGTE-SDFUNWIVSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies CS149 (ncbitaxon:2109332) - PubMed (30006405)
Streptomycesspecies (ncbitaxon:1931) - PubMed (29441046)
ChEBI Ontology
Outgoing Relation(s)
Sipanmycin B (CHEBI:221273) is a aminoglycoside (CHEBI:47779)
IUPAC Names 
(3E,5E,7E,9E,11R,12S,13Z,15E,17E,19E,21E,24S)-12-[(2S,3R,4R,5R)-3-amino-5-[(2S,4R,5R,6R)-5-(dimethylamino)-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-11-hydroxy-5,11,17,21,24-pentamethyl-3-[(2S)-2-methylbutyl]-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one
(3E,5E,7E,9E,11S,12R,13Z,15E,17E,19E,21E,24R)-12-[(2R,3S,4S,5S)-3-amino-5-[(2R,5R,6S)-5-(dimethylamino)-6-methyloxan-2-yl]oxy-4-hydroxyoxan-2-yl]oxy-11-hydroxy-5,11,17,21,24-pentamethyl-3-(2-methylbutyl)-1-azacyclotetracosa-3,5,7,9,13,15,17,19,21-nonaen-2-one