input word = C00017270

Metabolite InformationStructural formula
Name Plusbacin A3
Formula C50H83N11O20
Mw 1157.58158418
CAS RN 136660-70-3
C_ID C00017270 ,
InChIKey HFPVTZNYHFSJMC-UHFFFAOYNA-N
InChICode InChI=1S/C50H83N11O20/c1-24(2)14-11-9-7-5-6-8-10-12-15-27-22-32(66)57-33(26(4)63)41(70)54-25(3)45(74)60-20-17-30(64)36(60)43(72)55-28(16-13-19-53-50(51)52)40(69)58-34(38(67)47(76)77)42(71)56-29(23-62)46(75)61-21-18-31(65)37(61)44(73)59-35(49(80)81-27)39(68)48(78)79/h24-31,33-39,62-65,67-68H,5-23H2,1-4H3,(H,54,70)(H,55,72)(H,56,71)(H,57,66)(H,58,69)(H,59,73)(H,76,77)(H,78,79)(H4,51,52,53)/t25-,26-,27-,28+,29+,30-,31-,33+,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)CCCCCCCCCCC(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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