EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:57710 - 5,12-dihydroxanthommatin(1−)

ChEBI IDCHEBI:57710
ChEBI Name5,12-dihydroxanthommatin(1−)
Stars
ASCII Name5,12-dihydroxanthommatin(1-)
DefinitionConjugate base of 5,12-dihydroxanthommatin having anionic carboxy groups and a protonated primary amino group.
Last Modified13 November 2017
DownloadsMolfile
FormulaC20H14N3O8
Net Charge-1
Average Mass424.345
Monoisotopic Mass424.07864
SMILES[NH3+]C(CC(=O)c1cccc2c1Nc1c(cc(O)c3nc(C(=O)[O-])cc(O)c13)O2)C(=O)[O-]
InChIInChI=1S/C20H15N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8,23,26H,4,21H2,(H,22,25)(H,27,28)(H,29,30)/p-1
InChIKeyWSRZQBTZCCBWOL-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
5,12-dihydroxanthommatin(1−) (CHEBI:57710) is a dicarboxylic acid anion (CHEBI:35693)
5,12-dihydroxanthommatin(1−) (CHEBI:57710) is conjugate base of 5,12-dihydroxanthommatin (CHEBI:16274)
Incoming Relation(s)
5,12-dihydroxanthommatin (CHEBI:16274) is conjugate acid of 5,12-dihydroxanthommatin(1−) (CHEBI:57710)
IUPAC Name 
11-(3-azaniumyl-3-carboxylatopropanoyl)-1,5-dihydroxy-12H-pyrido[3,2-a]phenoxazine-3-carboxylate
Synonym  Source
5,12-dihydroxanthommatin anionChEBI
UniProt Name  Source
5,12-dihydroxanthommatinUniProt