input word = C00017269

Metabolite InformationStructural formula
Name Plusbacin A2
Formula C49H81N11O20
Mw 1143.56593411
CAS RN 136660-69-0
C_ID C00017269 ,
InChIKey KDBXJRLNARFRRV-UHFFFAOYNA-N
InChICode InChI=1S/C49H81N11O20/c1-23(2)13-10-8-6-5-7-9-11-14-26-21-31(65)56-32(25(4)62)40(69)53-24(3)44(73)59-19-16-29(63)35(59)42(71)54-27(15-12-18-52-49(50)51)39(68)57-33(37(66)46(75)76)41(70)55-28(22-61)45(74)60-20-17-30(64)36(60)43(72)58-34(48(79)80-26)38(67)47(77)78/h23-30,32-38,61-64,66-67H,5-22H2,1-4H3,(H,53,69)(H,54,71)(H,55,70)(H,56,65)(H,57,68)(H,58,72)(H,75,76)(H,77,78)(H4,50,51,52)/t24-,25-,26+,27-,28+,29+,30+,32+,33+,34-,35+,36+,37-,38+/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)CCCCCCCCCC(C)C)[C@@H](C)O)C)CC[C@@H]2O)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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