CHEBI:62765 - β-D-glucosyl crocetin

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ChEBI Name β-D-glucosyl crocetin ChEBI ID CHEBI:62765 ChEBI ASCII Name beta-D-glucosyl crocetin Definition A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of β-D-glucopyranose. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C26H34O9 Net Charge 0 Average Mass 490.54280 Monoisotopic Mass 490.22028 InChI InChI=1S/C26H34O9/c1-16(11-7-13-18(3)24(31)32)9-5-6-10-17(2)12-8-14-19(4)25(33)35-26-23(30)22(29)21(28)20(15-27)34-26/h5-14,20-23,26-30H,15H2,1-4H3,(H,31,32)/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1 InChIKey ZVGODNZUEWDIPM-YXRLTKITSA-N SMILES CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing β-D-glucosyl crocetin (CHEBI:62765) has functional parent β-D-glucose (CHEBI:15903) β-D-glucosyl crocetin (CHEBI:62765) has functional parent crocetin (CHEBI:3918) β-D-glucosyl crocetin (CHEBI:62765) is a β-D-glucoside (CHEBI:22798) β-D-glucosyl crocetin (CHEBI:62765) is a dicarboxylic acid monoester (CHEBI:36244) β-D-glucosyl crocetin (CHEBI:62765) is conjugate acid of β-D-glucosyl crocetin(1−) (CHEBI:62766) Incoming β-D-glucosyl crocetin(1−) (CHEBI:62766) is conjugate base of β-D-glucosyl crocetin (CHEBI:62765) IUPAC Name 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-β-D-glucopyranose Synonyms Sources all-trans-crocetin mono(β-D-glucosyl) ester ChEBI crocetin β-D-glucopyranosyl ester ChEBI crocetin β-D-glucosyl ester ChEBI crocetin mono(β-D-glucosyl) ester ChEBI trans-crocetin β-D-glucosyl ester ChEBI Manual Xref Database CPD-8663 MetaCyc View more database links Registry Number Type Source 7783234 Reaxys Registry Number Reaxys Citation Type Source 15605174 PubMed citation Europe PMC Last Modified 19 August 2011

General Comment 2011-08-19 See also Côté, F., Cormier, F., Dufresne, C. and Willemot, C. Properties of aglucosyltransferase involved in crocin synthesis. Plant Sci. 153 (2000)55—63.