input word = C00018732

Metabolite InformationStructural formula
Name Quinomycin B0
Formula C52H64N12O12S2
Mw 1112.42080706
CAS RN 13602-50-1
C_ID C00018732 ,
InChIKey BHPQNAJMRDABSH-UHFFFAOYNA-N
InChICode InChI=1S/C52H64N12O12S2/c1-26(2)28(5)40-48(72)76-23-38(60-42(66)36-21-54-32-17-13-15-19-34(32)58-36)44(68)56-29(6)45(69)63(10)51-24-78-52(25-77-51,50(74)62(40)9)64(11)46(70)30(7)55-43(67)37(22-75-47(71)39(27(3)4)61(8)49(51)73)59-41(65)35-20-53-31-16-12-14-18-33(31)57-35/h12-21,26-30,37-40H,22-25H2,1-11H3,(H,55,67)(H,56,68)(H,59,65)(H,60,66)/t28-,29-,30-,37-,38+,39-,40-,51-,52+/m1/s1
SMILES c12c(nc(cn1)C(=O)N[C@@H]1COC(=O)[C@H](N(C(=O)[C@]34SC[C@](N(C(=O)[C@H](NC1=O)C)C)(SC3)C(=O)N([C@@H](C(=O)OC[C@@H](C(=O)N[C@@H](C(=O)N4C)C)NC(=O)c1cnc3c(n1)cccc3)[C@H](C)C(C)C)C)C)C(C)C)cccc2
Start Substs in Alk. Biosynthesis (Prediction) L-Trp Anthranilate
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces sp. redembling S. Aureus Ref.
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