input word = C00016916

Metabolite InformationStructural formula
Name Kistamicin A
Kistamycin A
Formula C61H51ClN8O15
Mw 1170.31624073
CAS RN 155683-50-4
C_ID C00016916 ,
InChIKey UFHMIPMOTWJTKL-VTWOFEDXNA-N
InChICode InChI=1S/C61H51ClN8O15/c62-41-20-30-7-14-47(41)85-48-23-31(6-13-46(48)74)53(61(82)83)70-56(77)44-16-28-3-10-38(11-4-28)84-49-24-33-19-40(54(49)75)29-5-12-39-34(26-64-43(39)21-29)22-45(65-55(76)42(63)15-27-1-8-35(71)9-2-27)57(78)67-51(32-17-36(72)25-37(73)18-32)59(80)69-52(33)60(81)68-50(30)58(79)66-44/h1-14,17-21,23-26,42,44-45,50-53,64,71-75H,15-16,22,63H2,(H,65,76)(H,66,79)(H,67,78)(H,68,81)(H,69,80)(H,70,77)(H,82,83)/t42-,44+,45-,50-,51-,52-,53-/m1/s1
SMILES c12cc3cc(c1O)c1cc4c(cc1)c(c[nH]4)C[C@H](C(=O)N[C@@H](C(=O)N[C@H]3C(=O)N[C@H]1C(=O)N[C@H](C(=O)N[C@H](c3cc(Oc4ccc1cc4Cl)c(cc3)O)C(=O)O)Cc1ccc(O2)cc1)c1cc(cc(c1)O)O)NC(=O)[C@@H](Cc1ccc(cc1)O)N
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
--Microtetraspora parvosata subsp. kistnae nov. (ATCC 55076) Ref.
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