input word = C00017273

Metabolite InformationStructural formula
Name Plusbacin B3
Formula C50H83N11O19
Mw 1141.58666955
CAS RN 136660-71-4
C_ID C00017273 ,
InChIKey NPXFOKKXSVEGDZ-UHFFFAOYNA-N
InChICode InChI=1S/C50H83N11O19/c1-25(2)15-11-9-7-5-6-8-10-12-16-28-23-33(65)57-34(27(4)63)42(70)54-26(3)45(73)60-21-14-18-31(60)41(69)55-29(17-13-20-53-50(51)52)40(68)58-35(38(66)47(75)76)43(71)56-30(24-62)46(74)61-22-19-32(64)37(61)44(72)59-36(49(79)80-28)39(67)48(77)78/h25-32,34-39,62-64,66-67H,5-24H2,1-4H3,(H,54,70)(H,55,69)(H,56,71)(H,57,65)(H,58,68)(H,59,72)(H,75,76)(H,77,78)(H4,51,52,53)/t26-,27+,28+,29-,30-,31-,32+,34+,35-,36-,37-,38+,39-/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)C)[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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