CHEBI:62769 - β-D-gentiobiosyl crocetin

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ChEBI Name β-D-gentiobiosyl crocetin ChEBI ID CHEBI:62769 ChEBI ASCII Name beta-D-gentiobiosyl 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-gentiobiose. 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 C32H44O14 Net Charge 0 Average Mass 652.68340 Monoisotopic Mass 652.27311 InChI InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31-,32+/m1/s1 InChIKey VULLCGFNYWDRHL-YJOFKXFJSA-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]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[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-gentiobiosyl crocetin (CHEBI:62769) has functional parent crocetin (CHEBI:3918) β-D-gentiobiosyl crocetin (CHEBI:62769) has functional parent gentiobiose (CHEBI:28066) β-D-gentiobiosyl crocetin (CHEBI:62769) is a dicarboxylic acid monoester (CHEBI:36244) β-D-gentiobiosyl crocetin (CHEBI:62769) is a disaccharide derivative (CHEBI:63353) β-D-gentiobiosyl crocetin (CHEBI:62769) is a glycoside (CHEBI:24400) β-D-gentiobiosyl crocetin (CHEBI:62769) is conjugate acid of β-D-gentiobiosyl crocetin(1−) (CHEBI:62770) Incoming crocin-1 (CHEBI:79068) has functional parent β-D-gentiobiosyl crocetin (CHEBI:62769) β-D-gentiobiosyl crocetin(1−) (CHEBI:62770) is conjugate base of β-D-gentiobiosyl crocetin (CHEBI:62769) 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]-6-O-β-D-glucopyranosyl-β-D-glucopyranose Synonyms Sources all-trans-crocetin mono(β-D-gentiobiosyl) ester ChEBI crocetin mono(β-gentiobiosyl) ester ChEBI trans-crocetin β-D-gentiobiosyl ester ChEBI Manual Xref Database CPD-8664 MetaCyc View more database links Registry Number Type Source 1614638 Reaxys Registry Number Reaxys Citation Type Source 15605174 PubMed citation Europe PMC Last Modified 24 July 2014

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.