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CHEBI:2681 - Amphibine B

ChEBI IDCHEBI:2681
ChEBI NameAmphibine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC39H47N5O5
Net Charge0
Average Mass665.835
Monoisotopic Mass665.35772
SMILES[H][C@@]12C(=O)N[C@@H](Cc3ccccc3)C(=O)N/C=C\c3ccc(cc3)O[C@@]1([H])CCN2C(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N(C)C)[C@@H](C)CC
InChIInChI=1S/C39H47N5O5/c1-5-26(2)34(42-37(46)32(43(3)4)25-29-14-10-7-11-15-29)39(48)44-23-21-33-35(44)38(47)41-31(24-28-12-8-6-9-13-28)36(45)40-22-20-27-16-18-30(49-33)19-17-27/h6-20,22,26,31-35H,5,21,23-25H2,1-4H3,(H,40,45)(H,41,47)(H,42,46)/b22-20-/t26-,31-,32-,33-,34-,35-/m0/s1
InChIKeyBZXBQQGSSIQELG-HVQQJYASSA-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)
Amphibine B (CHEBI:2681) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Amphibine BKEGG COMPOUND
Manual XrefsDatabases
C09998KEGG COMPOUND
C00001993KNApSAcK
Registry NumbersSources
CAS:38541-74-1KEGG COMPOUND