CHEBI:62770 - β-D-gentiobiosyl crocetin(1−)

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ChEBI Name β-D-gentiobiosyl crocetin(1−) ChEBI ID CHEBI:62770 ChEBI ASCII Name beta-D-gentiobiosyl crocetin(1-) Definition A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of β-D-gentiobiosyl crocetin. The major species at pH 7.3. 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 C32H43O14 Net Charge -1 Average Mass 651.67540 Monoisotopic Mass 651.26583 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)/p-1/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-M 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 ChEBI Ontology Outgoing β-D-gentiobiosyl crocetin(1−) (CHEBI:62770) is a carboxylic acid anion (CHEBI:29067) β-D-gentiobiosyl crocetin(1−) (CHEBI:62770) is conjugate base of β-D-gentiobiosyl crocetin (CHEBI:62769) Incoming β-D-gentiobiosyl crocetin (CHEBI:62769) is conjugate acid of β-D-gentiobiosyl crocetin(1−) (CHEBI:62770) IUPAC Name 1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxylato-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(1−) ChEBI β-D-gentiobiosyl crocetin UniProt crocetin mono(β-gentiobiosyl) ester(1−) ChEBI trans-crocetin β-D-gentiobiosyl ester(1−) ChEBI Manual Xref Database CPD-8664 MetaCyc View more database links Citation Type Source 15605174 PubMed citation Europe PMC Last Modified 15 September 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.