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CHEBI:215959 - 7-O-Descarbamoyl-7-hydroxygeldanamycin

ChEBI IDCHEBI:215959
ChEBI Name7-O-Descarbamoyl-7-hydroxygeldanamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO8
Net Charge0
Average Mass517.619
Monoisotopic Mass517.26757
SMILESCOC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(/C)[C@H](O)[C@@H](OC)/C=C\C=C(\C)C(=O)NC(=CC1=O)C2=O
InChIInChI=1S/C28H39NO8/c1-15-11-19-26(33)20(14-21(30)27(19)37-7)29-28(34)16(2)9-8-10-22(35-5)24(31)17(3)13-18(4)25(32)23(12-15)36-6/h8-10,13-15,18,22-25,31-32H,11-12H2,1-7H3,(H,29,34)/b10-8-,16-9-,17-13-/t15-,18+,22+,23+,24+,25-/m1/s1
InChIKeyAZMUWZBGFKDVCZ-RHMOWUDTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (20683449)
ChEBI Ontology
Outgoing Relation(s)
7-O-Descarbamoyl-7-hydroxygeldanamycin (CHEBI:215959) is a azamacrocycle (CHEBI:52898)
7-O-Descarbamoyl-7-hydroxygeldanamycin (CHEBI:215959) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
(4Z,6Z,8S,9S,10Z,12S,13R,14S,16R)-9,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaene-3,20,22-trione
Manual XrefsDatabases
78438104ChemSpider