CHEBI:2493 - Adouetine Y

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ChEBI Name Adouetine Y
ChEBI ID CHEBI:2493
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C34H40N4O4
Net Charge 0
Average Mass 568.707
Monoisotopic Mass 568.30496
InChI InChI=1S/C34H40N4O4/c1-5-23(2)29-33(40)35-21-20-24-16-18-27(19-17-24)42-31(26-14-10-7-11-15-26)30(34(41)36-29)37-32(39)28(38(3)4)22-25-12-8-6-9-13-25/h6-21,23,28-31H,5,22H2,1-4H3,(H,35,40)(H,36,41)(H,37,39)/b21-20-/t23-,28-,29-,30-,31+/m0/s1
InChIKey GVFKEVFAPIUOAI-ONQAJXPKSA-N
SMILES CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)N(C)C)[C@H](Oc2ccc(cc2)\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 Adouetine Y (CHEBI:2493) is a cyclic peptide (CHEBI:23449)
Synonym Source
Adouetine Y KEGG COMPOUND
Manual Xrefs Databases
C00001989 KNApSAcK
C09994 KEGG COMPOUND
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Registry Number Type Source
19542-38-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014