input word = C00017530

Metabolite InformationStructural formula
Name Hypeptin
Formula C44H71N13O15
Mw 1021.5192587
CAS RN 124883-38-1
C_ID C00017530 ,
InChIKey FZKVQDUEWNYBMS-UHFFFAOYNA-N
InChICode InChI=1S/C44H71N13O15/c1-8-19(6)25-43(71)72-33(35(47)63)29(42(70)56-27(31(60)21-11-13-22(58)14-12-21)40(68)55-26(39(67)53-25)30(59)18(4)5)57-41(69)28(32(61)34(46)62)54-37(65)23(10-9-15-50-44(48)49)51-38(66)24(16-17(2)3)52-36(64)20(7)45/h11-14,17-20,23-33,58-61H,8-10,15-16,45H2,1-7H3,(H2,46,62)(H2,47,63)(H,51,66)(H,52,64)(H,53,67)(H,54,65)(H,55,68)(H,56,70)(H,57,69)(H4,48,49,50)/t19-,20-,23-,24+,25-,26+,27+,28-,29+,30-,31+,32-,33-/m0/s1
SMILES N1[C@H](C(=O)O[C@@H]([C@H](C(=O)N[C@@H](C(=O)N[C@@H](C1=O)[C@H](C(C)C)O)[C@H](O)c1ccc(cc1)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](N)C)CC(C)C)CCCNC(=N)N)[C@H](O)C(=O)N)C(=O)N)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. PB-6269 Ref.
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