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CHEBI:80077 - Aeruginopeptin 917S-B

ChEBI IDCHEBI:80077
ChEBI NameAeruginopeptin 917S-B
Stars
DownloadsMolfile
FormulaC54H76N8O15
Net Charge0
Average Mass1077.243
Monoisotopic Mass1076.54301
SMILESCCC(C)C1NC(=O)C(Cc2ccc(O)cc2)N(C)C(=O)C(CC(C)C)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/C54H76N8O15/c1-7-29(4)45-54(76)77-30(5)46(60-47(69)37(20-22-43(55)67)56-50(72)42(66)27-33-12-18-36(65)19-13-33)51(73)58-39(25-31-8-14-34(63)15-9-31)48(70)57-38-21-23-44(68)62(52(38)74)41(24-28(2)3)53(75)61(6)40(49(71)59-45)26-32-10-16-35(64)17-11-32/h8,10-14,16-19,28-31,34,37-42,44-46,63-66,68H,7,9,15,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)
InChIKeyOZABBUPKYTXOSK-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 917S-B (CHEBI:80077) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C15749KEGG COMPOUND