input word = C00017761

Metabolite InformationStructural formula
Name Antibiotic CA 31
Clavamycin A
Formula C16H22N4O9
Mw 414.13867833
CAS RN 103059-93-4
C_ID C00017761 ,
InChIKey SAFJOTXIKNUGOJ-UHFFFAOYNA-N
InChICode InChI=1S/C16H22N4O9/c17-11(13(23)5-3-19-7(21)1-9(19)28-5)15(25)18-12(16(26)27)14(24)6-4-20-8(22)2-10(20)29-6/h5-6,9-14,23-24H,1-4,17H2,(H,18,25)(H,26,27)/t5-,6-,9+,10-,11+,12+,13-,14+/m1/s1
SMILES [C@H]1([C@H](O)[C@@H](C(=O)O)NC(=O)[C@@H](N)[C@H](O)[C@H]2CN3[C@@H](O2)CC3=O)CN2[C@H](O1)CC2=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Arg L-Asp
Organism
Kingdom Family Species Reference
BacteriaStreptomycetaceaeStreptomyces hygroscopicus NRRL 15846 Ref.
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