input word = C00017274

Metabolite InformationStructural formula
Name Plusbacin B4
Formula C50H83N11O19
Mw 1141.58666955
CAS RN 136660-72-5
C_ID C00017274 ,
InChIKey CYHRYKJCGPPJFP-UHFFFAOYNA-N
InChICode InChI=1S/C50H83N11O19/c1-4-5-6-7-8-9-10-11-12-13-14-17-28-24-33(65)57-34(27(3)63)42(70)54-26(2)45(73)60-22-16-19-31(60)41(69)55-29(18-15-21-53-50(51)52)40(68)58-35(38(66)47(75)76)43(71)56-30(25-62)46(74)61-23-20-32(64)37(61)44(72)59-36(49(79)80-28)39(67)48(77)78/h26-32,34-39,62-64,66-67H,4-25H2,1-3H3,(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+/m0/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)CCCCCCCCCCCCC)[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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