input word = C00045137

Metabolite InformationStructural formula
Name Vitilevuamide
Formula C77H114N14O21S
Mw 1602.80036754
CAS RN 191681-63-7
C_ID C00045137 ,
InChIKey UFOVYHGILLJGLP-UHFFFAOYNA-N
InChICode InChI=1S/C77H114N14O21S/c1-14-41(6)32-49-67(100)87-60(40(4)5)76(109)90(12)63(57(93)37-111-13)74(107)85-53(36-92)77(110)112-46(11)62-73(106)84-52(35-48-26-21-18-22-27-48)75(108)91-31-23-28-56(91)71(104)86-55(70(103)88-61(43(8)16-3)72(105)79-45(10)65(98)81-49)39-113-38-54(80-58(94)29-30-59(95)96)69(102)83-51(34-47-24-19-17-20-25-47)66(99)78-44(9)64(97)82-50(68(101)89-62)33-42(7)15-2/h17-22,24-27,40-44,46,49-57,60-63,92-93H,10,14-16,23,28-39H2,1-9,11-13H3,(H,78,99)(H,79,105)(H,80,94)(H,81,98)(H,82,97)(H,83,102)(H,84,106)(H,85,107)(H,86,104)(H,87,100)(H,88,103)(H,89,101)(H,95,96)/t41-,42+,43+,44-,46+,49-,50-,51-,52+,53+,54+,55+,56-,57+,60+,61-,62+,63-/m1/s1
SMILES N1[C@@H](C(=O)NC(=C)C(=O)N[C@@H](C(=O)N[C@H](C(=O)N(C)[C@@H](C(=O)N[C@@H](CO)C(=O)O[C@H]([C@@H]2NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@H](CSC[C@H](NC(=O)[C@@H]3N(C(=O)[C@@H](NC2=O)Cc2ccccc2)CCC3)C1=O)NC(=O)CCC(=O)O)Cc1ccccc1)C)C[C@@H](C)CC)C)[C@@H](O)COC)C(C)C)C[C@H](C)CC)[C@@H](C)CC
Start Substs in Alk. Biosynthesis (Prediction) L-Arg L-Asp
Organism
Kingdom Family Species Reference
AnimaliaDidemnidaeDidemnum cucliferum Ref.
AnimaliaDidemnidaePolysyncraton lithostrotum Ref.
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