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 N[C@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1Cc2c[nH]c3cc(ccc23)-c2cc3cc(c2O)Oc2ccc(cc2)C[C@@H]2NC(=O)[C@H](NC(=O)[C@@H]3NC(=O)[C@@H](c3cc(O)cc(O)c3)NC1=O)c1ccc(c(Cl)c1)Oc1cc(ccc1O)[C@H](C(=O)O)NC2=O
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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