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CHEBI:80074 - Aeruginopeptin 228A

ChEBI IDCHEBI:80074
ChEBI NameAeruginopeptin 228A
Stars
DownloadsMolfile
FormulaC52H68N8O15
Net Charge0
Average Mass1045.157
Monoisotopic Mass1044.48041
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](O)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N2
InChIInChI=1S/C52H68N8O15/c1-6-27(2)42-52(74)75-29(4)43(58-45(67)35(20-22-40(53)65)54-48(70)39(64)26-32-14-18-34(63)19-15-32)49(71)56-37(24-31-12-16-33(62)17-13-31)46(68)55-36-21-23-41(66)60(50(36)72)44(28(3)61)51(73)59(5)38(47(69)57-42)25-30-10-8-7-9-11-30/h7-19,27-29,35-39,41-44,61-64,66H,6,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)/t27-,28+,29+,35-,36-,37-,38-,39+,41+,42-,43-,44-/m0/s1
InChIKeyUXBXSFBQJFREKB-ARBIPWNZSA-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 228A (CHEBI:80074) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15746KEGG COMPOUND