input word = C00017268

Metabolite InformationStructural formula
Name Plusbacin B1
Formula C48H79N11O19
Mw 1113.55536943
CAS RN 136634-59-8
C_ID C00017268 ,
InChIKey PEBYLDKPVXXCJK-UHFFFAOYNA-N
InChICode InChI=1S/C48H79N11O19/c1-4-5-6-7-8-9-10-11-12-15-26-22-31(63)55-32(25(3)61)40(68)52-24(2)43(71)58-20-14-17-29(58)39(67)53-27(16-13-19-51-48(49)50)38(66)56-33(36(64)45(73)74)41(69)54-28(23-60)44(72)59-21-18-30(62)35(59)42(70)57-34(47(77)78-26)37(65)46(75)76/h24-30,32-37,60-62,64-65H,4-23H2,1-3H3,(H,52,68)(H,53,67)(H,54,69)(H,55,63)(H,56,66)(H,57,70)(H,73,74)(H,75,76)(H4,49,50,51)/t24-,25-,26-,27-,28-,29-,30+,32-,33+,34+,35+,36+,37+/m1/s1
SMILES C1(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]2N(C(=O)[C@H](NC(=O)[C@H](NC(=O)C[C@H](OC(=O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@H](N1)CO)CC[C@@H]3O)[C@H](O)C(=O)O)CCCCCCCCCCC)[C@@H](C)O)C)CCC2)CCCNC(=N)N)[C@@H](C(=O)O)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. PB-6250 (FERM BP-2938) Ref.
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