input word =
C00017628
Metabolite Information
Structural formula
Name
Antibiotic MG 398HF9B
Octacosamicin B
Formula
C32H54N4O9
Mw
638.38907935
CAS RN
122005-24-7
C_ID
C00017628 ,
InChIKey
YRBWJHGUKBSDDE-UHFFFAOYNA-N
InChICode
InChI=1S/C32H54N4O9/c1-24(27(39)21-26(38)22-28(40)30(43)31(44)35-23-29(41)42)17-13-9-5-2-3-6-10-14-18-25(37)19-15-11-7-4-8-12-16-20-36(45)32(33)34/h2-3,5-7,11,15,19,24,26-28,30,38-40,43,45H,4,8-10,12-14,16-18,20-23H2,1H3,(H3,33,34)(H,35,44)(H,41,42)/b5-2+,6-3-,11-7+,19-15-/t24-,26+,27+,28-,30+/m0/s1
SMILES
OC(=O)CNC(=O)[C@H](O)[C@@H](O)C[C@H](O)C[C@@H](O)[C@H](CCC/C=C/C=C\CCCC(=O)/C=C\C=C\CCCCCN(O)C(=N)N)C
Start Substs in Alk. Biosynthesis (Prediction)
L-Pro
L-Lys
L-Arg
L-Ala
L-Asp
Organism
Kingdom
Family
Species
Reference
Bacteria
Pseudonocardiaceae
Amycolatopsis MG398-hF9
Ref.
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