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CHEBI:80072 - Aeruginopeptin 95A

ChEBI IDCHEBI:80072
ChEBI NameAeruginopeptin 95A
Stars
DownloadsMolfile
FormulaC56H75N9O17
Net Charge0
Average Mass1146.262
Monoisotopic Mass1145.52809
SMILES[H][C@]12CC[C@@H](O)N(C1=O)[C@@]([H])([C@@H](C)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@]([H])([C@@H](C)CC)C(=O)O[C@H](C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](O)Cc1ccc(O)cc1)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2
InChIInChI=1S/C56H75N9O17/c1-7-28(2)44-56(81)82-31(5)46(63-48(73)37(21-23-42(57)71)58-52(77)45(29(3)66)62-51(76)41(70)27-34-15-19-36(69)20-16-34)53(78)60-39(25-33-13-17-35(68)18-14-33)49(74)59-38-22-24-43(72)65(54(38)79)47(30(4)67)55(80)64(6)40(50(75)61-44)26-32-11-9-8-10-12-32/h8-20,28-31,37-41,43-47,66-70,72H,7,21-27H2,1-6H3,(H2,57,71)(H,58,77)(H,59,74)(H,60,78)(H,61,75)(H,62,76)(H,63,73)/t28-,29+,30+,31+,37-,38-,39-,40-,41+,43+,44-,45-,46-,47-/m0/s1
InChIKeyBIEZHRIRLVWXFT-FDAUJORUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aeruginopeptin 95A (CHEBI:80072) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15744KEGG COMPOUND