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CHEBI:219429 - Geldanamycin D

ChEBI IDCHEBI:219429
ChEBI NameGeldanamycin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N2O11
Net Charge0
Average Mass594.658
Monoisotopic Mass594.27886
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@@H](O)/C=C(\C)C(=O)NC(=C2O)C(=O)C1=O
InChIInChI=1S/C29H42N2O11/c1-13-8-18-23(34)21(24(35)25(36)27(18)41-7)31-28(37)16(4)11-17(32)12-20(40-6)26(42-29(30)38)15(3)10-14(2)22(33)19(9-13)39-5/h10-11,13-14,17,19-20,22,26,32-34H,8-9,12H2,1-7H3,(H2,30,38)(H,31,37)/b15-10+,16-11+/t13-,14+,17+,19+,20+,22-,26+/m1/s1
InChIKeyXKJMWIBJSIVCQH-ARYQHHOHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
ChEBI Ontology
Outgoing Relation(s)
Geldanamycin D (CHEBI:219429) is a enol (CHEBI:33823)
Geldanamycin D (CHEBI:219429) is a enone (CHEBI:51689)
IUPAC Name 
[(4E,6R,8S,9S,10E,12S,13R,14S,16R)-6,13,22-trihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,21-trioxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18-tetraen-9-yl] carbamate
Manual XrefsDatabases
78440628ChemSpider