input word =
C00017627
Metabolite Information
Structural formula
Name
Antibiotic MG 398HF9A
Octacosamicin A
Formula
C31H52N4O9
Mw
624.37342929
CAS RN
122005-25-8
C_ID
C00017627 ,
InChIKey
JHJDTYDBQYAKEF-UHFFFAOYNA-N
InChICode
InChI=1S/C31H52N4O9/c32-31(33)35(44)20-16-12-8-4-7-10-14-18-24(36)17-13-9-5-2-1-3-6-11-15-19-25(37)21-26(38)22-27(39)29(42)30(43)34-23-28(40)41/h1-3,5,7,10,14,18,25-27,29,37-39,42,44H,4,6,8-9,11-13,15-17,19-23H2,(H3,32,33)(H,34,43)(H,40,41)/b3-1+,5-2+,10-7+,18-14-/t25-,26-,27+,29+/m0/s1
SMILES
OC(=O)CNC(=O)[C@H](O)[C@H](O)C[C@@H](O)C[C@@H](O)CCCC/C=C/C=C/CCCC(=O)/C=C\C=C\CCCCCN(O)C(=N)N
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.
zoom in
