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CHEBI:219441 - Geldanamycin B

ChEBI IDCHEBI:219441
ChEBI NameGeldanamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O10
Net Charge0
Average Mass576.643
Monoisotopic Mass576.26830
SMILESCOC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=C2O)C(=O)C1=O
InChIInChI=1S/C29H40N2O10/c1-14-11-18-23(33)21(24(34)25(35)27(18)40-7)31-28(36)15(2)9-8-10-19(38-5)26(41-29(30)37)17(4)13-16(3)22(32)20(12-14)39-6/h8-10,13-14,16,19-20,22,26,32-33H,11-12H2,1-7H3,(H2,30,37)(H,31,36)/b10-8-,15-9+,17-13+/t14-,16+,19+,20+,22-,26+/m1/s1
InChIKeyOQBUJSRQWFJMKD-NALWTGAJSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
ChEBI Ontology
Outgoing Relation(s)
Geldanamycin B (CHEBI:219441) is a enol (CHEBI:33823)
Geldanamycin B (CHEBI:219441) is a enone (CHEBI:51689)
IUPAC Name 
[(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13,22-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,6,10,18-pentaen-9-yl] carbamate
Manual XrefsDatabases
78440630ChemSpider