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CHEBI:5933 - Integerrenine

ChEBI IDCHEBI:5933
ChEBI NameIntegerrenine
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC31H42N4O4
Net Charge0
Average Mass534.701
Monoisotopic Mass534.32061
SMILES[H][C@]1(c2ccccc2)Oc2ccc(cc2)/C=C\NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1NC(=O)[C@H]([C@H](C)CC)N(C)C
InChIInChI=1S/C31H42N4O4/c1-7-21(4)27(35(5)6)31(38)34-26-28(23-11-9-8-10-12-23)39-24-15-13-22(14-16-24)17-18-32-29(36)25(19-20(2)3)33-30(26)37/h8-18,20-21,25-28H,7,19H2,1-6H3,(H,32,36)(H,33,37)(H,34,38)/b18-17-/t21-,25+,26+,27+,28-/m1/s1
InChIKeyKGRSGRNSVOPQEA-NNQIDPCFSA-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)
Integerrenine (CHEBI:5933) is a cyclic peptide (CHEBI:23449)
Synonym  Source
IntegerrenineKEGG COMPOUND
Manual XrefsDatabases
C10005KEGG COMPOUND
C00002000KNApSAcK
Registry NumbersSources
CAS:18067-39-5KEGG COMPOUND