input word = C00017576

Metabolite InformationStructural formula
Name Antibiotic TAN 1022A
Fosfocytocin
Formula C12H20N4O13P2
Mw 490.05020974
CAS RN 126986-25-2
C_ID C00017576 ,
InChIKey BWGMNVJUNKPELE-RVIINWCINA-N
InChICode InChI=1S/C12H20N4O13P2/c13-8-1-2-16(12(20)14-8)11-10(19)9(18)7(28-11)5-27-31(24,25)29-30(22,23)26-4-3-15(21)6-17/h1-2,6-7,9-11,18-19,21H,3-5H2,(H,22,23)(H,24,25)(H2,13,14,20)/t7-,9+,10-,11-/m0/s1
SMILES Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OCCN(O)C=O)[C@@H](O)[C@H]2O)c(=O)n1
Start Substs in Alk. Biosynthesis (Prediction) L-Tyr
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas fluorescens PK52 Ref.
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