input word = C00017272

Metabolite InformationStructural formula
Name Plusbacin B2
Formula C49H81N11O19
Mw 1127.57101949
CAS RN 136634-60-1
C_ID C00017272 ,
InChIKey HTDCQJNTABOIAS-UHFFFAOYNA-N
InChICode InChI=1S/C49H81N11O19/c1-24(2)14-10-8-6-5-7-9-11-15-27-22-32(64)56-33(26(4)62)41(69)53-25(3)44(72)59-20-13-17-30(59)40(68)54-28(16-12-19-52-49(50)51)39(67)57-34(37(65)46(74)75)42(70)55-29(23-61)45(73)60-21-18-31(63)36(60)43(71)58-35(48(78)79-27)38(66)47(76)77/h24-31,33-38,61-63,65-66H,5-23H2,1-4H3,(H,53,69)(H,54,68)(H,55,70)(H,56,64)(H,57,67)(H,58,71)(H,74,75)(H,76,77)(H4,50,51,52)/t25-,26-,27+,28-,29+,30-,31-,33+,34+,35-,36-,37+,38-/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)CCCCCCCCCC(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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