input word = C00018795

Metabolite InformationStructural formula
Name Geldanamycin
NSC 122750
NSC 212518
Formula C29H40N2O9
Mw 560.27338089
CAS RN 30562-34-6
C_ID C00018795 ,
InChIKey QTQAWLPCGQOSGP-HKJUTLGFNA-N
InChICode InChI=1S/C29H40N2O9/c1-15-11-19-25(34)20(14-21(32)27(19)39-7)31-28(35)16(2)9-8-10-22(37-5)26(40-29(30)36)18(4)13-17(3)24(33)23(12-15)38-6/h8-10,13-15,17,22-24,26,33H,11-12H2,1-7H3,(H2,30,36)(H,31,35)/b10-8-,16-9+,18-13+/t15-,17+,22+,23+,24-,26+/m1/s1
SMILES C1(=C2C[C@H](C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](/C=C\C=C(\C(=O)NC(=CC1=O)C2=O)/C)OC)OC(=O)N)\C)C)O)OC)C)OC
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr L-Arg
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus var. enhygrus var. nov. Ref.
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OrganismStreptomyces hygroscopicus var. enhygrus var. nov.
ReferenceDeBoer,J. Antibiotics,23,(1970),442