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CHEBI:189018 - Geldanamycin Analog

ChEBI IDCHEBI:189018
ChEBI NameGeldanamycin Analog
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N2O9
Net Charge0
Average Mass546.617
Monoisotopic Mass546.25773
SMILESCOC1/C=C/C=C(/C)C(=O)NC2=CC(=O)C(=O)C(=C2O)CC(C)CC(OC)C(O)C(C)/C=C(\C)C1OC(N)=O
InChIInChI=1S/C28H38N2O9/c1-14-10-18-24(33)19(13-20(31)25(18)34)30-27(35)15(2)8-7-9-21(37-5)26(39-28(29)36)17(4)12-16(3)23(32)22(11-14)38-6/h7-9,12-14,16,21-23,26,32-33H,10-11H2,1-6H3,(H2,29,36)(H,30,35)/b9-7+,15-8-,17-12+
InChIKeyAFFSZNHAULCEKY-WBYSVDBMSA-N
Species of MetaboliteComponentSourceComments
Anopheles sinensis (ncbitaxon:74873) Whole Organism (NCIT:C13413) Article
ChEBI Ontology
Outgoing Relation(s)
Geldanamycin Analog (CHEBI:189018) is a azamacrocycle (CHEBI:52898)
Geldanamycin Analog (CHEBI:189018) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4Z,6E,10E)-13,22-dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,19,20-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18(22)-pentaen-9-yl] carbamate
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