input word = C00050158

Metabolite InformationStructural formula
Name Massetolide D
Formula C55H97N9O16
Mw 1139.70532812
CAS RN 186409-62-1
C_ID C00050158 ,
InChIKey IFZPMYRVFZFPEF-XOHOYDTHNA-N
InChICode InChI=1S/C55H97N9O16/c1-13-15-16-17-18-19-35(67)26-43(68)56-37(22-29(3)4)48(72)57-36(20-21-44(69)70)47(71)64-46-34(12)80-55(79)40(25-32(9)10)60-52(76)42(28-66)62-49(73)38(23-30(5)6)58-51(75)41(27-65)61-50(74)39(24-31(7)8)59-53(77)45(33(11)14-2)63-54(46)78/h29-42,45-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,76)(H,61,74)(H,62,73)(H,63,78)(H,64,71)(H,69,70)/t33-,34+,35+,36+,37-,38-,39-,40-,41+,42+,45-,46+/m0/s1
SMILES C1(=O)[C@@H]([C@H](OC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N1)[C@@H](C)CC)CC(C)C)CO)CC(C)C)CO)CC(C)C)C)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)C[C@@H](CCCCCCC)O
Start Substs in Alk. Biosynthesis (Prediction) L-Pro L-Lys L-Arg L-Ala
Organism
Kingdom Family Species Reference
BacteriaPseudomonadaceaePseudomonas sp. Ref.
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