input word = C00042299

Metabolite InformationStructural formula
Name Brasilibactin A
Formula C42H67N5O10
Mw 801.4887934
CAS RN 850544-39-7
C_ID C00042299 ,
InChIKey ZNPSTDZGGZROAZ-XZAWVQNDNA-N
InChICode InChI=1S/C42H67N5O10/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-26-37(31(2)38(50)43-33-23-19-21-28-47(55)41(33)52)57-42(53)34(24-18-20-27-46(54)30-48)44-39(51)35-29-56-40(45-35)32-22-16-17-25-36(32)49/h16-17,22,25,30-31,33-35,37,49,54-55H,3-15,18-21,23-24,26-29H2,1-2H3,(H,43,50)(H,44,51)/t31-,33-,34-,35-,37+/m1/s1
SMILES CCCCCCCCCCCCCCC[C@H](OC(=O)[C@@H](CCCCN(O)C=O)NC(=O)[C@H]1COC(c2ccccc2O)=N1)[C@@H](C)C(=O)NC1CCCCN(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia brasiliensis IFM 0995 Ref.
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OrganismNocardia brasiliensis IFM 0995
ReferenceTsuda,J.Nat.Prod.,68,(2005),462