input word = C00050155

Metabolite InformationStructural formula
Name Massetolide A
(-)-Massetolide A
Formula C55H97N9O16
Mw 1139.70532812
CAS RN 186409-57-4
C_ID C00050155 ,
InChIKey JAYJEXYYCNLGOQ-INLSPYFWNA-N
InChICode InChI=1S/C55H97N9O16/c1-13-16-17-18-19-20-35(67)26-42(68)56-37(23-29(4)5)48(72)57-36(21-22-43(69)70)47(71)64-46-34(12)80-55(79)45(33(11)15-3)63-52(76)41(28-66)61-49(73)38(24-30(6)7)58-51(75)40(27-65)60-50(74)39(25-31(8)9)59-53(77)44(32(10)14-2)62-54(46)78/h29-41,44-46,65-67H,13-28H2,1-12H3,(H,56,68)(H,57,72)(H,58,75)(H,59,77)(H,60,74)(H,61,73)(H,62,78)(H,63,76)(H,64,71)(H,69,70)/t32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,44+,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](CC)C)CC(C)C)CO)CC(C)C)CO)[C@H](CC)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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