EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:6945 - Miraxanthin-I

Default Structure
ChEBI IDCHEBI:6945
ChEBI NameMiraxanthin-I
Stars
Last Modified26 March 2015
DownloadsMolfile
FormulaC14H18N2O7S
Net Charge0
Average Mass358.372
Monoisotopic Mass358.08347
SMILESCS(=O)CCC(/N=C\C=C1\C=C(C(=O)O)NC(C(=O)O)C1)C(=O)O
InChIInChI=1S/C14H18N2O7S/c1-24(23)5-3-9(12(17)18)15-4-2-8-6-10(13(19)20)16-11(7-8)14(21)22/h2,4,6,9,11,16H,3,5,7H2,1H3,(H,17,18)(H,19,20)(H,21,22)/b8-2-,15-4-
InChIKeyKRWNKOCPQBHMPM-CEEUPZOTSA-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)
Miraxanthin-I (CHEBI:6945) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym  Source
Miraxanthin-IKEGG COMPOUND
Manual XrefsDatabases
C00001595KNApSAcK
C08554KEGG COMPOUND
Registry NumbersSources
CAS:5296-79-7KEGG COMPOUND