CHEBI:6945 - Miraxanthin-I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Miraxanthin-I
ChEBI ID CHEBI:6945
Stars This entity has been manually annotated by a third party.
Supplier Information eMolecules:5755524, ZINC000000898299
Download Molfile XML SDF
Formula C14H18N2O7S
Net Charge 0
Average Mass 358.369
Monoisotopic Mass 358.08347
InChI InChI=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-
InChIKey KRWNKOCPQBHMPM-CEEUPZOTSA-N
SMILES CS(=O)CCC(\N=C/C=C1CC(NC(=C\1)C(O)=O)C(O)=O)C(O)=O
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Miraxanthin-I (CHEBI:6945) is a non-proteinogenic α-amino acid (CHEBI:83925)
Synonym Source
Miraxanthin-I KEGG COMPOUND
Manual Xrefs Databases
C00001595 KNApSAcK
C08554 KEGG COMPOUND
View more database links
Registry Number Type Source
5296-79-7 CAS Registry Number KEGG COMPOUND
Last Modified
26 March 2015