input word = C00047979

Metabolite InformationStructural formula
Name Loihichelin E
Formula C48H79N11O19
Mw 1113.55536943
CAS RN 1133940-14-3
C_ID C00047979 ,
InChIKey GKZPHTZLQSSUOT-LMBKIOAZNA-N
InChICode InChI=1S/C48H79N11O19/c1-4-6-7-8-9-10-11-12-13-14-15-20-37(65)57-38(39(66)48(75)76)46(73)56-35(27-62)44(71)52-31(21-22-36(49)64)42(69)55-33(25-60)43(70)51-30(18-16-23-58(77)28(3)63)41(68)50-29(5-2)40(67)54-34(26-61)45(72)53-32-19-17-24-59(78)47(32)74/h5,10-11,30-35,38-39,60-62,66,77-78H,4,6-9,12-27H2,1-3H3,(H2,49,64)(H,50,68)(H,51,70)(H,52,71)(H,53,72)(H,54,67)(H,55,69)(H,56,73)(H,57,65)(H,75,76)/b11-10-,29-5+/t30-,31-,32+,33-,34+,35+,38+,39+/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)CCCCC/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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