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CHEBI:219467 - Geldanamycin G

ChEBI IDCHEBI:219467
ChEBI NameGeldanamycin G
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SubmitterMetaboLights
DownloadsMolfile
FormulaC33H47N3O12S
Net Charge0
Average Mass709.815
Monoisotopic Mass709.28804
SMILESCOc1c(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@H](/C=C\C=C(/C)C(=O)O)OC)c(O)c(NC(=O)CO)c2c1NC(=O)CS2
InChIInChI=1S/C33H47N3O12S/c1-16(11-20-28(41)25(35-23(38)14-37)31-26(30(20)47-7)36-24(39)15-49-31)12-22(46-6)27(40)18(3)13-19(4)29(48-33(34)44)21(45-5)10-8-9-17(2)32(42)43/h8-10,13,16,18,21-22,27,29,37,40-41H,11-12,14-15H2,1-7H3,(H2,34,44)(H,35,38)(H,36,39)(H,42,43)/b10-8-,17-9+,19-13+/t16-,18+,21+,22+,27-,29+/m1/s1
InChIKeyFIUKMJFMFLNANA-BXTHWFJYSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies AD-23-14 (ncbitaxon:1571120) - PubMed (28140487)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Geldanamycin G (CHEBI:219467) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(2E,4Z,6S,7S,8E,10S,11R,12S,14R)-7-carbamoyloxy-11-hydroxy-15-[7-hydroxy-8-[(2-hydroxyacetyl)amino]-5-methoxy-3-oxo-4H-1,4-benzothiazin-6-yl]-6,12-dimethoxy-2,8,10,14-tetramethylpentadeca-2,4,8-trienoic acid
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78440634ChemSpider