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CHEBI:80076 - Aeruginopeptin 917S-A

ChEBI IDCHEBI:80076
ChEBI NameAeruginopeptin 917S-A
Stars
DownloadsMolfile
FormulaC54H72N8O15
Net Charge0
Average Mass1073.211
Monoisotopic Mass1072.51171
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](Cc2ccc(O)cc2)C(=O)N[C@@]2([H])CC[C@@H](O)N1C2=O
InChIInChI=1S/C54H72N8O15/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/h8-19,28-30,37-42,44-46,63-66,68H,7,20-27H2,1-6H3,(H2,55,67)(H,56,72)(H,57,70)(H,58,73)(H,59,71)(H,60,69)/t29-,30+,37-,38-,39-,40-,41-,42+,44+,45-,46-/m0/s1
InChIKeyGZJSMNOPCVUYFU-VWEGKJGISA-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-A (CHEBI:80076) is a cyclodepsipeptide (CHEBI:35213)
Synonym  Source
Microcystilide AKEGG COMPOUND
Manual XrefsDatabases
C15748KEGG COMPOUND