input word = C00017601

Metabolite InformationStructural formula
Name Quinaldopeptin
Formula C62H78N14O14
Mw 1242.5821933
CAS RN 130743-07-6
C_ID C00017601 ,
InChIKey KIPSHYPQCJYONU-UHFFFAOYNA-N
InChICode InChI=1S/C62H78N14O14/c1-35-51(69-59(87)53-45(77)29-37-17-5-7-19-39(37)67-53)61(89)75-27-15-11-21-41(75)55(83)63-31-47(79)72(4)34-50(82)74-26-14-10-24-44(74)58(86)66-36(2)52(70-60(88)54-46(78)30-38-18-6-8-20-40(38)68-54)62(90)76-28-16-12-22-42(76)56(84)64-32-48(80)71(3)33-49(81)73-25-13-9-23-43(73)57(85)65-35/h5-8,17-20,29-30,35-36,41-44,51-52,77-78H,9-16,21-28,31-34H2,1-4H3,(H,63,83)(H,64,84)(H,65,85)(H,66,86)(H,69,87)(H,70,88)/t35-,36+,41-,42+,43-,44+,51+,52-
SMILES c12c(nc(c(c1)O)C(=O)N[C@H]1C(=O)N3[C@@H](CCCC3)C(=O)NCC(=O)N(CC(=O)N3[C@H](CCCC3)C(=O)N[C@H](C)[C@@H](C(=O)N3[C@H](CCCC3)C(=O)NCC(=O)N(CC(=O)N3[C@@H](CCCC3)C(=O)N[C@H]1C)C)NC(=O)c1nc3c(cc1O)cccc3)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp L-Pro Anthranilate L-Lys
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces luteosporeus strain Q132-6 Ref.
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