CHEBI:8340 - Portulacaxanthin I

ChEBI IDCHEBI:8340
ChEBI NamePortulacaxanthin I
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC14H16N2O7
Net Charge0
Average Mass324.289
Monoisotopic Mass324.09575
SMILESO=C(O)C1=C/C(=C/C=[N+]2/C[C@H](O)C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
InChIInChI=1S/C14H16N2O7/c17-8-5-11(14(22)23)16(6-8)2-1-7-3-9(12(18)19)15-10(4-7)13(20)21/h1-3,8,10-11,17H,4-6H2,(H3,18,19,20,21,22,23)/t8-,10+,11+/m1/s1
InChIKeyGVARXLMKUDMZFN-MIMYLULJSA-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)
Portulacaxanthin I (CHEBI:8340) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym  Source
Portulacaxanthin IKEGG COMPOUND
Manual XrefsDatabases
C08564KEGG COMPOUND
C00001603KNApSAcK
Registry NumbersSources
CAS:11042-69-6KEGG COMPOUND