input word = C00043809

Metabolite InformationStructural formula
Name Petrobactin
Formula C34H50N6O11
Mw 718.35375648
CAS RN 545434-89-7
C_ID C00043809 ,
InChIKey GKIMOVAPSAVJHZ-UHFFFAOYSA-N
InChICode InChI=1S/C34H50N6O11/c41-25-9-7-23(19-27(25)43)31(47)39-17-5-13-35-11-1-3-15-37-29(45)21-34(51,33(49)50)22-30(46)38-16-4-2-12-36-14-6-18-40-32(48)24-8-10-26(42)28(44)20-24/h7-10,19-20,35-36,41-44,51H,1-6,11-18,21-22H2,(H,37,45)(H,38,46)(H,39,47)(H,40,48)(H,49,50)
SMILES c1(ccc(cc1O)C(=O)NCCCNCCCCNC(=O)CC(CC(=O)NCCCCNCCCNC(=O)c1ccc(c(c1)O)O)(O)C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaAlteromonadaceaeMarinobacter hydrocarbonoclasticus Ref.
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