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CHEBI:206701 - 15-Hydroxygeldanamycin

ChEBI IDCHEBI:206701
ChEBI Name15-Hydroxygeldanamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O10
Net Charge0
Average Mass576.643
Monoisotopic Mass576.26830
SMILESCOC1=C2C(=O)C(=CC1=O)NC(=O)/C(C)=C\C=C/[C@H](OC)[C@@H](OC(N)=O)/C(C)=C\[C@H](C)[C@@H](O)[C@@H](OC)C[C@H](C)[C@H]2O
InChIInChI=1S/C29H40N2O10/c1-14-9-8-10-20(38-5)26(41-29(30)37)17(4)11-15(2)23(33)21(39-6)12-16(3)24(34)22-25(35)18(31-28(14)36)13-19(32)27(22)40-7/h8-11,13,15-16,20-21,23-24,26,33-34H,12H2,1-7H3,(H2,30,37)(H,31,36)/b10-8-,14-9-,17-11-/t15-,16-,20-,21-,23+,24+,26-/m0/s1
InChIKeyUCBVCEVBUMICFC-SCCFEFTKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (15376554)
ChEBI Ontology
Outgoing Relation(s)
15-Hydroxygeldanamycin (CHEBI:206701) is a enol ether (CHEBI:47985)
15-Hydroxygeldanamycin (CHEBI:206701) is a enone (CHEBI:51689)
IUPAC Name 
[(4Z,6Z,8S,9S,10Z,12S,13R,14S,16S,17R)-13,17-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate
Manual XrefsDatabases
78442615ChemSpider