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CHEBI:219759 - 17-hydroxymethyl-17-demethoxygeldanamycin

ChEBI IDCHEBI:219759
ChEBI Name17-hydroxymethyl-17-demethoxygeldanamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40N2O9
Net Charge0
Average Mass560.644
Monoisotopic Mass560.27338
SMILESCO[C@H]1/C=C\C=C(\C)C(=O)NC2=CC(=O)C(CO)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@@H]1OC(N)=O)C2=O
InChIInChI=1S/C29H40N2O9/c1-15-10-19-20(14-32)22(33)13-21(26(19)35)31-28(36)16(2)8-7-9-23(38-5)27(40-29(30)37)18(4)12-17(3)25(34)24(11-15)39-6/h7-9,12-13,15,17,23-25,27,32,34H,10-11,14H2,1-6H3,(H2,30,37)(H,31,36)/b9-7-,16-8-,18-12-/t15-,17+,23+,24+,25-,27+/m1/s1
InChIKeyARMYBYURPGCOIX-GCJLKVIVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (15376554)
ChEBI Ontology
Outgoing Relation(s)
17-hydroxymethyl-17-demethoxygeldanamycin (CHEBI:219759) is a carboximidic acid (CHEBI:48378)
IUPAC Name 
[(4Z,6Z,8S,9S,10Z,12S,13R,14S,16R)-13-hydroxy-19-(hydroxymethyl)-8,14-dimethoxy-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
78442654ChemSpider