CHEBI:3476 - Ceanothine B

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ChEBI Name Ceanothine B
ChEBI ID CHEBI:3476
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H36N4O4
Net Charge 0
Average Mass 504.622
Monoisotopic Mass 504.27366
InChI InChI=1S/C29H36N4O4/c1-19(2)26-25(32-28(35)24-10-7-17-33(24)3)29(36)31-23(18-21-8-5-4-6-9-21)27(34)30-16-15-20-11-13-22(37-26)14-12-20/h4-6,8-9,11-16,19,23-26H,7,10,17-18H2,1-3H3,(H,30,34)(H,31,36)(H,32,35)/b16-15-/t23-,24-,25-,26-/m0/s1
InChIKey IDZLSIWTJUALRQ-JKNOKTCPSA-N
SMILES CC(C)[C@@H]1Oc2ccc(cc2)\C=C/NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Ceanothine B (CHEBI:3476) is a cyclic peptide (CHEBI:23449)
Synonym Source
Ceanothine B KEGG COMPOUND
Manual Xrefs Databases
C00001996 KNApSAcK
C10001 KEGG COMPOUND
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Registry Number Type Source
19471-43-3 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014