input word = C00047977

Metabolite InformationStructural formula
Name Loihichelin C
Formula C46H75N11O19
Mw 1085.5240693
CAS RN 1133940-12-1
C_ID C00047977 ,
InChIKey INUZTVUOUNUWAD-BYDJSMLNNA-N
InChICode InChI=1S/C46H75N11O19/c1-4-6-7-8-9-10-11-12-13-18-35(63)55-36(37(64)46(73)74)44(71)54-33(25-60)42(69)50-29(19-20-34(47)62)40(67)53-31(23-58)41(68)49-28(16-14-21-56(75)26(3)61)39(66)48-27(5-2)38(65)52-32(24-59)43(70)51-30-17-15-22-57(76)45(30)72/h5,10-11,28-33,36-37,58-60,64,75-76H,4,6-9,12-25H2,1-3H3,(H2,47,62)(H,48,66)(H,49,68)(H,50,69)(H,51,70)(H,52,65)(H,53,67)(H,54,71)(H,55,63)(H,73,74)/b11-10-,27-5+/t28-,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)CCC/C=C\CCCCCC)[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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