amaranthin (CHEBI:2621)

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CHEBI:2621 - amaranthin

ChEBI ID	CHEBI:2621
ChEBI Name	amaranthin
Stars
Definition	A disaccharide derivative that is betanidin in which a β-D-glucuronosyl-(1→2)-β-D-glucosyl moiety is attached at position 5.
Last Modified	10 February 2015
Downloads	Molfile

Formula	C30H34N2O19
Net Charge	0
Average Mass	726.597
Monoisotopic Mass	726.17558
SMILES	O=C(O)C1=C/C(=C/C=[N+]2/c3cc(O)c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]4O)cc3C[C@H]2C(=O)[O-])C[C@@H](C(=O)O)N1
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

Roles Classification

Biological Roles:

biological pigment An endogenous molecular entity that results in a colour of an organism as the consequence of the selective absorption of light.

plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
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
C08537	KEGG COMPOUND
C00001581	KNApSAcK
HMDB0029406	HMDB
CPD-8658	MetaCyc

Registry Numbers	Sources
Reaxys:8183321	Reaxys
CAS:15167-84-7	KEGG COMPOUND
CAS:15167-84-7	ChemIDplus