input word = C00014914

Metabolite InformationStructural formula
Name QS 3666A
YM 254890
Formula C46H69N7O15
Mw 959.48516459
CAS RN 568580-02-9
C_ID C00014914 ,
InChIKey QVYLWCAYZGFGNF-MMKIRUGNNA-N
InChICode InChI=1S/C46H69N7O15/c1-22(2)37(56)34(49-30(11)55)45(63)68-38(23(3)4)35-43(61)53(14)36(28(9)65-15)46(64)66-27(8)33(48-29(10)54)44(62)67-32(21-31-19-17-16-18-20-31)42(60)52(13)25(6)39(57)47-24(5)41(59)51(12)26(7)40(58)50-35/h16-20,22-24,26-28,32-38,56H,6,21H2,1-5,7-15H3,(H,47,57)(H,48,54)(H,49,55)(H,50,58)/t24-,26-,27+,28+,32+,33-,34-,35-,36-,37-,38+/m0/s1
SMILES C=C1C(=O)N[C@@H](C)C(=O)N(C)[C@@H](C)C(=O)NC([C@H](OC(=O)[C@@H](NC(C)=O)C(O)C(C)C)C(C)C)C(=O)N(C)[C@@H]([C@@H](C)OC)C(=O)O[C@H](C)[C@H](NC(C)=O)C(=O)O[C@H](Cc2ccccc2)C(=O)N1C
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp L-Phe
Organism
Kingdom Family Species Reference
BacteriaNeisseriaceaeChromobacterium sp. QS3666 Ref.
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