input word = C00047976

Metabolite InformationStructural formula
Name Loihichelin B
Formula C46H77N11O20
Mw 1103.53463398
CAS RN 1134369-15-5
C_ID C00047976 ,
InChIKey PWGQVJAUAUOVSK-DVQBKORGNA-N
InChICode InChI=1S/C46H77N11O20/c1-4-6-7-8-9-10-11-14-26(62)21-35(64)55-36(37(65)46(74)75)44(72)54-33(24-60)42(70)50-29(17-18-34(47)63)40(68)53-31(22-58)41(69)49-28(15-12-19-56(76)25(3)61)39(67)48-27(5-2)38(66)52-32(23-59)43(71)51-30-16-13-20-57(77)45(30)73/h5,26,28-33,36-37,58-60,62,65,76-77H,4,6-24H2,1-3H3,(H2,47,63)(H,48,67)(H,49,69)(H,50,70)(H,51,71)(H,52,66)(H,53,68)(H,54,72)(H,55,64)(H,74,75)/b27-5+/t26-,28-,29-,30+,31-,32+,33+,36+,37+/m0/s1
SMILES [C@H]1(CCCN(C1=O)O)NC(=O)[C@H](NC(=O)/C(=C\C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)[C@H](NC(=O)C[C@H](CCCCCCCCC)O)[C@@H](O)C(=O)O)CCC(=O)N)CO)CCCN(C(=O)C)O)CO
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaHalomonadaceaeHalomonas sp. LOB-5 Ref.
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