input word = C00047975

Metabolite InformationStructural formula
Name Loihichelin A
Formula C44H73N11O19
Mw 1059.50841923
CAS RN 1133940-11-0
C_ID C00047975 ,
InChIKey KCHCYEDSKWZGQO-HOTSVPHBNA-N
InChICode InChI=1S/C44H73N11O19/c1-4-6-7-8-9-10-11-16-33(61)53-34(35(62)44(71)72)42(69)52-31(23-58)40(67)48-27(17-18-32(45)60)38(65)51-29(21-56)39(66)47-26(14-12-19-54(73)24(3)59)37(64)46-25(5-2)36(63)50-30(22-57)41(68)49-28-15-13-20-55(74)43(28)70/h5,26-31,34-35,56-58,62,73-74H,4,6-23H2,1-3H3,(H2,45,60)(H,46,64)(H,47,66)(H,48,67)(H,49,68)(H,50,63)(H,51,65)(H,52,69)(H,53,61)(H,71,72)/b25-5+/t26-,27-,28+,29-,30+,31+,34+,35+/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)CCCCCCCCC)[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
Organism
Kingdom Family Species Reference
BacteriaHalomonadaceaeHalomonas sp. LOB-5 Ref.
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