input word = C00016064

Metabolite InformationStructural formula
Name Mathemycin A
Formula C71H132N2O24
Mw 1396.91700316
CAS RN 211374-76-4
C_ID C00016064 ,
InChIKey GBOWXIISIICSRF-LTNFCHMNNA-N
InChICode InChI=1S/C71H132N2O24/c1-35(19-15-13-14-18-24-72)25-41(7)69-45(11)56(94-70-66(90)60(73)64(88)46(12)93-70)33-49(77)32-54(82)43(9)52(80)29-47(75)28-51(79)42(8)53(81)30-48(76)31-55(83)44(10)63(87)57(95-71-68(92)67(91)65(89)58(34-74)96-71)27-40(6)62(86)39(5)26-38(4)61(85)37(3)20-16-17-21-50(78)36(2)22-23-59(84)97-69/h16,20,26-27,35-37,39,41-58,60-71,74-83,85-92H,13-15,17-19,21-25,28-34,72-73H2,1-12H3/b20-16+,38-26+,40-27+/t35-,36-,37-,39-,41+,42-,43+,44-,45-,46-,47+,48+,49-,50-,51-,52+,53-,54+,55-,56+,57-,58+,60+,61+,62-,63-,64-,65-,66-,67+,68-,69+,70+,71-/m1/s1
SMILES [C@@H]1([C@@H](/C=C/CC[C@H]([C@@H](CCC(=O)O[C@H]([C@@H]([C@H](C[C@@H](C[C@@H]([C@H]([C@H](C[C@H](C[C@H]([C@H]([C@@H](C[C@@H](C[C@H]([C@H]([C@H]([C@@H](/C=C(/[C@@H]([C@@H](/C=C/1\C)C)O)\C)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)O)C)O)O)O)C)O)O)O)C)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C)O)N)O)C)[C@H](C[C@@H](CCCCCCN)C)C)C)O)C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Actinomycete sp. HIL Y-8620959 Ref.
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