input word = C00017267

Metabolite InformationStructural formula
Name Plusbacin A1
Formula C48H79N11O20
Mw 1129.55028405
CAS RN 136634-57-6
C_ID C00017267 ,
InChIKey AMBMNVMTAJAUOI-UHFFFAOYNA-N
InChICode InChI=1S/C48H79N11O20/c1-4-5-6-7-8-9-10-11-12-14-25-21-30(64)55-31(24(3)61)39(68)52-23(2)43(72)58-19-16-28(62)34(58)41(70)53-26(15-13-18-51-48(49)50)38(67)56-32(36(65)45(74)75)40(69)54-27(22-60)44(73)59-20-17-29(63)35(59)42(71)57-33(47(78)79-25)37(66)46(76)77/h23-29,31-37,60-63,65-66H,4-22H2,1-3H3,(H,52,68)(H,53,70)(H,54,69)(H,55,64)(H,56,67)(H,57,71)(H,74,75)(H,76,77)(H4,49,50,51)/t23-,24-,25+,26-,27-,28+,29-,31+,32-,33-,34-,35-,36-,37+/m0/s1
SMILES CCCCCCCCCCCC1CC(=O)NC(C(C)O)C(=O)NC(C)C(=O)N2CCC(O)C2C(=O)NC(CCCNC(=N)N)C(=O)NC(C(O)C(=O)O)C(=O)NC(CO)C(=O)N2CCC(O)C2C(=O)NC(C(O)C(=O)O)C(=O)O1
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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