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CHEBI:80078 - Aeruginopeptin 917S-C

ChEBI IDCHEBI:80078
ChEBI NameAeruginopeptin 917S-C
Stars
DownloadsMolfile
FormulaC51H74N8O14
Net Charge0
Average Mass1023.195
Monoisotopic Mass1022.53245
SMILES[H][C@]1(CC(C)C)C(=O)N(C)[C@@H](Cc2ccc(O)cc2)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](O)Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@]2([H])CC[C@@H](O)N1C2=O
InChIInChI=1S/C51H74N8O14/c1-9-28(6)42-51(72)73-29(7)43(57-44(65)34(18-20-40(52)63)53-47(68)39(62)25-31-12-16-33(61)17-13-31)48(69)55-36(22-26(2)3)45(66)54-35-19-21-41(64)59(49(35)70)38(23-27(4)5)50(71)58(8)37(46(67)56-42)24-30-10-14-32(60)15-11-30/h10-17,26-29,34-39,41-43,60-62,64H,9,18-25H2,1-8H3,(H2,52,63)(H,53,68)(H,54,66)(H,55,69)(H,56,67)(H,57,65)/t28-,29+,34-,35-,36-,37-,38-,39+,41+,42-,43-/m0/s1
InChIKeyZRKGXBXTXWRIOY-UZWCTBGLSA-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 917S-C (CHEBI:80078) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15750KEGG COMPOUND