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CHEBI:205230 - (4S)-4,5-dihydro-4-hydroxygeldanamycin

ChEBI IDCHEBI:205230
ChEBI Name(4S)-4,5-dihydro-4-hydroxygeldanamycin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H42N2O10
Net Charge0
Average Mass578.659
Monoisotopic Mass578.28395
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(=CC1=O)C2=O
InChIInChI=1S/C29H42N2O10/c1-14-8-19-25(35)20(13-21(33)27(19)40-7)31-28(36)17(4)11-18(32)12-23(39-6)26(41-29(30)37)16(3)10-15(2)24(34)22(9-14)38-5/h10-11,13-15,18,22-24,26,32,34H,8-9,12H2,1-7H3,(H2,30,37)(H,31,36)/b16-10+,17-11+/t14-,15+,18-,22+,23+,24-,26+/m1/s1
InChIKeyHNYXYDNFRIJYMY-HBDFPOJRSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (22849774)
ChEBI Ontology
Outgoing Relation(s)
(4S)-4,5-dihydro-4-hydroxygeldanamycin (CHEBI:205230) is a azamacrocycle (CHEBI:52898)
(4S)-4,5-dihydro-4-hydroxygeldanamycin (CHEBI:205230) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(4E,6S,8S,9S,10E,12S,13R,14S,16R)-6,13-dihydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,10,18-tetraen-9-yl] carbamate
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