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CHEBI:3476 - Ceanothine B

ChEBI IDCHEBI:3476
ChEBI NameCeanothine B
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC29H36N4O4
Net Charge0
Average Mass504.631
Monoisotopic Mass504.27366
SMILESCC(C)[C@@H]1Oc2ccc(cc2)/C=C\NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]1NC(=O)[C@@H]1CCCN1C
InChIInChI=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
InChIKeyIDZLSIWTJUALRQ-JKNOKTCPSA-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)
Ceanothine B (CHEBI:3476) is a cyclic peptide (CHEBI:23449)
Synonym  Source
Ceanothine BKEGG COMPOUND
Manual XrefsDatabases
C10001KEGG COMPOUND
C00001996KNApSAcK
Registry NumbersSources
CAS:19471-43-3KEGG COMPOUND