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 C1(=N[C@H](CO1)C(=O)N[C@@H](C(=O)O[C@H]([C@H](C(=O)N[C@H]1C(=O)N(CCCC1)O)C)CCCCCCCCCCCCCCC)CCCCN(O)C=O)c1ccccc1O
Start Substs in Alk. Biosynthesis (Prediction) Anthranilate L-Lys
Organism
Kingdom Family Species Reference
BacteriaNocardiaceaeNocardia brasiliensis IFM 0995 Ref.
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