input word = C00028410

Metabolite InformationStructural formula
Name Isopyoverdin
Formula C44H60N12O20
Mw 1076.40468245
CAS RN 159325-01-6
C_ID C00028410 ,
InChIKey DLSCFFOFAHWRFL-LGJKOTILNA-N
InChICode InChI=1S/C44H60N12O20/c1-19(37(66)51-28(16-35(64)65)41(70)49-23(5-3-10-55(75)20(2)58)38(67)53-29(18-57)42(71)50-25-6-4-11-56(76)43(25)72)46-40(69)27(15-34(62)63)52-39(68)24-9-12-54-30-17-32(60)31(59)14-21(30)13-26(36(54)48-24)47-33(61)8-7-22(45)44(73)74/h13-14,17,19,22-25,27-29,57,59-60,75-76H,3-12,15-16,18,45H2,1-2H3,(H,46,69)(H,47,61)(H,49,70)(H,50,71)(H,51,66)(H,52,68)(H,53,67)(H,62,63)(H,64,65)(H,73,74)/t19-,22-,23+,24-,25-,27-,28-,29-/m0/s1
SMILES CC(=O)N(O)CCC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCN2C(=N1)C(NC(=O)CC[C@H](N)C(=O)O)=Cc1cc(O)c(O)cc12)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCCN(O)C1=O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas putida Ref.
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