CHEBI:2621 - amaranthin

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ChEBI Name amaranthin
ChEBI ID CHEBI:2621
Definition A disaccharide derivative that is betanidin in which a β-D-glucuronosyl-(1→2)-β-D-glucosyl moiety is attached at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H34N2O19
Net Charge 0
Average Mass 726.59300
Monoisotopic Mass 726.17558
InChI InChI=1S/C30H34N2O19/c33-8-17-18(35)20(37)24(51-29-22(39)19(36)21(38)23(50-29)28(46)47)30(49-17)48-16-6-10-5-14(27(44)45)32(13(10)7-15(16)34)2-1-9-3-11(25(40)41)31-12(4-9)26(42)43/h1-3,6-7,12,14,17-24,29-30,33,35-39H,4-5,8H2,(H5,34,40,41,42,43,44,45,46,47)/t12-,14-,17+,18+,19-,20-,21-,22+,23-,24+,29-,30+/m0/s1
InChIKey ATSKDYKYMQVTGH-POBNKHOBSA-N
SMILES OC[C@H]1O[C@@H](Oc2cc3C[C@@H](C([O-])=O)\[N+](=C/C=C4\C[C@H](NC(=C4)C(O)=O)C(O)=O)c3cc2O)[C@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[C@@H](O)[C@@H]1O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
biological pigment
An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing amaranthin (CHEBI:2621) has functional parent betanidin (CHEBI:3079)
amaranthin (CHEBI:2621) has role biological pigment (CHEBI:26130)
amaranthin (CHEBI:2621) has role plant metabolite (CHEBI:76924)
amaranthin (CHEBI:2621) is a disaccharide derivative (CHEBI:63353)
amaranthin (CHEBI:2621) is a indoles (CHEBI:24828)
amaranthin (CHEBI:2621) is a olefinic compound (CHEBI:78840)
amaranthin (CHEBI:2621) is a tetrahydropyridine (CHEBI:26921)
IUPAC Name
(1E,2S)-1-{(2E)-2-[(2S)-2,6-dicarboxy-2,3-dihydropyridin-4(1H)-ylidene]ethylidene}-5-[(β-D-glucopyranosyluronic acid)-(1→2)-β-D-glucopyranosyloxy]-6-hydroxy-2,3-dihydro-1H-indolium-2-carboxylate
Synonyms Sources
Amaranthin KEGG COMPOUND
Amaranthin betacyanin ChemIDplus
Amarantin ChemIDplus
betanidin 5-O-β-[1''→2']-glucuronosyl-β-glucoside MetaCyc
betanidin 5-O-sophorobiuronic acid MetaCyc
Manual Xrefs Databases
C00001581 KNApSAcK
C08537 KEGG COMPOUND
CPD-8658 MetaCyc
HMDB0029406 HMDB
View more database links
Registry Numbers Types Sources
15167-84-7 CAS Registry Number KEGG COMPOUND
15167-84-7 CAS Registry Number ChemIDplus
8183321 Reaxys Registry Number Reaxys
Last Modified
10 February 2015