input word = C00027801

Metabolite InformationStructural formula
Name Acinetobactin
Formula C16H18N4O5
Mw 346.12771972
CAS RN 160472-93-5
C_ID C00027801 ,
InChIKey FCWIGDCVHNNXFS-XLQFWJNKNA-N
InChICode InChI=1S/C16H18N4O5/c1-9-13(16(23)20(24)6-5-10-7-17-8-18-10)19-15(25-9)11-3-2-4-12(21)14(11)22/h2-4,7-9,13,21-22,24H,5-6H2,1H3,(H,17,18)/t9-,13-/m0/s1
SMILES c1cc(c(c(c1)C1=N[C@@H]([C@@H](O1)C)C(=O)N(CCc1cnc[nH]1)O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Asp L-Phe L-His
Organism
Kingdom Family Species Reference
BacteriaMoraxellaceaeAcinetobacter baumannii ATCC19606 Ref.
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OrganismAcinetobacter baumannii ATCC19606
ReferenceYamamoto,Arch.Microbiol.,162,(1994),249