EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:80075 - Aeruginopeptin 228B

ChEBI IDCHEBI:80075
ChEBI NameAeruginopeptin 228B
Stars
DownloadsMolfile
FormulaC52H72N8O15
Net Charge0
Average Mass1049.189
Monoisotopic Mass1048.51171
SMILESCCC(C)C1NC(=O)C(Cc2ccccc2)N(C)C(=O)C(C(C)O)N2C(=O)C(CCC2O)NC(=O)C(CC2C=CC(O)CC2)NC(=O)C(NC(=O)C(CCC(N)=O)NC(=O)C(O)Cc2ccc(O)cc2)C(C)OC1=O
InChIInChI=1S/C52H72N8O15/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/h7-12,14-16,18-19,27-29,31,33,35-39,41-44,61-64,66H,6,13,17,20-26H2,1-5H3,(H2,53,65)(H,54,70)(H,55,68)(H,56,71)(H,57,69)(H,58,67)
InChIKeyNPFMRWVLZMWWHA-UHFFFAOYSA-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 228B (CHEBI:80075) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15747KEGG COMPOUND