CHEBI:5933 - Integerrenine

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ChEBI Name Integerrenine
ChEBI ID CHEBI:5933
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H42N4O4
Net Charge 0
Average Mass 534.691
Monoisotopic Mass 534.32061
InChI InChI=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
InChIKey KGRSGRNSVOPQEA-NNQIDPCFSA-N
SMILES CC[C@@H](C)[C@H](N(C)C)C(=O)N[C@H]1[C@H](Oc2ccc(cc2)\C=C/NC(=O)[C@H](CC(C)C)NC1=O)c1ccccc1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Integerrenine (CHEBI:5933) is a cyclic peptide (CHEBI:23449)
Synonym Source
Integerrenine KEGG COMPOUND
Manual Xrefs Databases
C00002000 KNApSAcK
C10005 KEGG COMPOUND
View more database links
Registry Number Type Source
18067-39-5 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014