input word = C00042742

Metabolite InformationStructural formula
Name Micropeptin 88-N
Formula C54H78N8O14
Mw 1062.56374926
CAS RN 844636-94-8
C_ID C00042742 ,
InChIKey PUNPCZIPNYKTCV-BHRIFLJANA-N
InChICode InChI=1S/C54H78N8O14/c1-10-15-41(64)55-38(26-29(3)4)47(67)57-37(53(73)74)22-24-42(65)59-45-32(8)76-54(75)44(31(7)11-2)60-49(69)40(28-33-16-13-12-14-17-33)61(9)52(72)46(30(5)6)62-43(66)25-23-36(51(62)71)56-48(68)39(58-50(45)70)27-34-18-20-35(63)21-19-34/h12-14,16-21,29-32,36-40,43-46,63,66H,10-11,15,22-28H2,1-9H3,(H,55,64)(H,56,68)(H,57,67)(H,58,70)(H,59,65)(H,60,69)(H,73,74)/t31-,32+,36-,37-,38-,39-,40-,43+,44-,45?,46-/m0/s1
SMILES C1C[C@H](N2[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@@H]1C2=O)Cc1ccc(cc1)O)NC(=O)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CCC)C(=O)O)C)[C@@H](C)CC)Cc1ccccc1)C)C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Microcystis aeruginosa NIES-88 Ref.
zoom in