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CHEBI:90192 - laccaic acid C

ChEBI IDCHEBI:90192
ChEBI Namelaccaic acid C
Stars
DefinitionA tetrahydroxyanthraquinone that is that is 3,5,6,8-tetrahydroxy-9,10-anthraquinone substituted by two carboxy groups at positions 1 and 2 as well as a 5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl group at position 7. A minor component of LAC dye together with laccaic acids A, B and D
Last Modified12 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC25H17NO13
Net Charge0
Average Mass539.405
Monoisotopic Mass539.06999
SMILESNC(Cc1ccc(O)c(-c2c(O)c(O)c3c(c2O)C(=O)c2c(cc(O)c(C(=O)O)c2C(=O)O)C3=O)c1)C(=O)O
InChIInChI=1S/C25H17NO13/c26-9(23(34)35)4-6-1-2-10(27)7(3-6)13-20(31)17-16(22(33)21(13)32)18(29)8-5-11(28)14(24(36)37)15(25(38)39)12(8)19(17)30/h1-3,5,9,27-28,31-33H,4,26H2,(H,34,35)(H,36,37)(H,38,39)
InChIKeyVRXULZFQCGXCRV-UHFFFAOYSA-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).
Biological Role:
animal metabolite  Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:
dye 
ChEBI Ontology
Outgoing Relation(s)
laccaic acid C (CHEBI:90192) has role animal metabolite (CHEBI:75767)
laccaic acid C (CHEBI:90192) has role dye (CHEBI:37958)
laccaic acid C (CHEBI:90192) is a polyphenol (CHEBI:26195)
laccaic acid C (CHEBI:90192) is a tetrahydroxyanthraquinone (CHEBI:37496)
laccaic acid C (CHEBI:90192) is a tricarboxylic acid (CHEBI:27093)
laccaic acid C (CHEBI:90192) is a α-amino acid (CHEBI:33704)
Incoming Relation(s)
LAC dye (CHEBI:90184) has part laccaic acid C (CHEBI:90192)
IUPAC Name 
7-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-3,5,6,8-tetrahydroxy-9,10-dioxo-9,10-dihydroanthracene-1,2-dicarboxylic acid
Registry NumbersSources
Reaxys:2687777Reaxys