EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:172619 - Lithol Rubine

ChEBI IDCHEBI:172619
ChEBI NameLithol Rubine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H12N2O6S.2Na
Net Charge0
Average Mass430.349
Monoisotopic Mass430.02115
SMILESCc1ccc(/N=N/c2c([O-])c(C(=O)O)cc3ccccc23)c(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C18H14N2O6S.2Na/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2/b20-19+;;
InChIKeyVPWFPZBFBFHIIL-LLIZZRELSA-L
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Lithol Rubine (CHEBI:172619) is a naphthoic acid (CHEBI:25483)
IUPAC Name 
disodium;2-[(3-carboxy-2-oxidonaphthalen-1-yl)diazenyl]-5-methylbenzenesulonate
Manual XrefsDatabases
21172211ChemSpider