input word = C00049660

Metabolite InformationStructural formula
Name Mathemycin B
(+)-Mathemycin B
Formula C77H142N2O29
Mw 1558.96982659
CAS RN 233262-38-9
C_ID C00049660 ,
InChIKey LNARHTBARTYDAD-BLKXVHQGNA-N
InChICode InChI=1S/C77H142N2O29/c1-36(19-15-13-14-18-24-78)25-42(7)73-46(11)57(103-75-69(98)62(79)66(95)47(12)102-75)33-50(84)32-55(89)44(9)53(87)29-48(82)28-52(86)43(8)54(88)30-49(83)31-56(90)45(10)65(94)58(104-77-72(101)74(68(97)60(35-81)106-77)108-76-71(100)70(99)67(96)59(34-80)105-76)27-41(6)64(93)40(5)26-39(4)63(92)38(3)20-16-17-21-51(85)37(2)22-23-61(91)107-73/h16,20,26-27,36-38,40,42-60,62-77,80-90,92-101H,13-15,17-19,21-25,28-35,78-79H2,1-12H3/b20-16+,39-26+,41-27+/t36-,37?,38-,40-,42+,43-,44+,45-,46+,47+,48+,49-,50-,51-,52-,53+,54-,55-,56+,57-,58+,59+,60+,62-,63+,64-,65+,66+,67+,68+,69-,70-,71-,72-,73-,74-,75-,76+,77+/m0/s1
SMILES [C@H]1(/C(=C/[C@H]([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](OC(=O)CC[C@H]([C@H](CC/C=C/[C@@H]([C@H](/C(=C/[C@@H]1C)/C)O)C)O)C)[C@@H](C[C@H](CCCCCCN)C)C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@@H]1O)N)O)C)O)O)C)O)O)O)C)O)O)O)C)O)O[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)/C)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
--Actinomycete sp. Ref.
zoom in