CHEBI:2680 - Amphibine A

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ChEBI Name Amphibine A
ChEBI ID CHEBI:2680
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C33H43N5O4
Net Charge 0
Average Mass 573.727
Monoisotopic Mass 573.33150
InChI InChI=1S/C33H43N5O4/c1-7-21(4)28-32(40)34-17-16-22-12-14-24(15-13-22)42-30(20(2)3)29(33(41)36-28)37-31(39)27(38(5)6)18-23-19-35-26-11-9-8-10-25(23)26/h8-17,19-21,27-30,35H,7,18H2,1-6H3,(H,34,40)(H,36,41)(H,37,39)/b17-16-/t21-,27-,28-,29-,30-/m0/s1
InChIKey ZNUMAFXIQXNMMH-UZFRKIFNSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)N(C)C)[C@@H](Oc2ccc(cc2)\C=C/NC1=O)C(C)C
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 Amphibine A (CHEBI:2680) is a cyclic peptide (CHEBI:23449)
Synonym Source
Amphibine A KEGG COMPOUND
Manual Xrefs Databases
C00001992 KNApSAcK
C09997 KEGG COMPOUND
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Registry Number Type Source
36535-97-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014