CHEBI:5767 - Humilixanthin

ChEBI IDCHEBI:5767
ChEBI NameHumilixanthin
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC14H18N2O7
Net Charge0
Average Mass326.305
Monoisotopic Mass326.11140
SMILESO=C(O)C1=C/C(=C/C=N\[C@@H](CCCO)C(=O)O)C[C@H](C(=O)O)N1
InChIInChI=1S/C14H18N2O7/c17-5-1-2-9(12(18)19)15-4-3-8-6-10(13(20)21)16-11(7-8)14(22)23/h3-4,6,9,11,16-17H,1-2,5,7H2,(H,18,19)(H,20,21)(H,22,23)/b8-3-,15-4-/t9-,11+/m0/s1
InChIKeyRVPIQBBRHBAQKG-CFJJVPNFSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Humilixanthin (CHEBI:5767) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym  Source
HumilixanthinKEGG COMPOUND
Manual XrefsDatabases
C08548KEGG COMPOUND
C00001590KNApSAcK
Registry NumbersSources
CAS:111534-70-4KEGG COMPOUND