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CHEBI:204193 - Proansamycin B

ChEBI IDCHEBI:204193
ChEBI NameProansamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H45NO9
Net Charge0
Average Mass623.743
Monoisotopic Mass623.30943
SMILESC/C1=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)/C=C(\C)C(=O)c2c(O)c(C)cc3c2C(=O)C=C(NC1=O)C3=O
InChIInChI=1S/C35H45NO9/c1-15-10-9-11-16(2)35(45)36-24-14-25(37)26-23(34(24)44)13-19(5)31(41)27(26)30(40)18(4)12-17(3)29(39)21(7)33(43)22(8)32(42)20(6)28(15)38/h9-15,17,20-22,28-29,32-33,38-39,41-43H,1-8H3,(H,36,45)/b10-9+,16-11-,18-12+/t15-,17-,20+,21+,22+,28-,29-,32+,33+/m0/s1
InChIKeyVSPVHUGKIRWWKU-YKHDVKJESA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis mediterranei (ncbitaxon:33910) - PubMed (396289)
ChEBI Ontology
Outgoing Relation(s)
Proansamycin B (CHEBI:204193) is a azamacrocycle (CHEBI:52898)
Proansamycin B (CHEBI:204193) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-4,10,12,14,16-pentahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1(27),2,4,7,18,20,24-heptaene-6,22,26,28-tetrone
Manual XrefsDatabases
9160217ChemSpider