CHEBI:62771 - β-D-gentiobiosyl β-D-glucosyl crocetin

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ChEBI Name β-D-gentiobiosyl β-D-glucosyl crocetin
ChEBI ID CHEBI:62771
ChEBI ASCII Name beta-D-gentiobiosyl beta-D-glucosyl crocetin
Definition A diester resulting from the formal condensation of the carboxylic acid group of β-D-gentiobiosyl 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
Formula C38H54O19
Net Charge 0
Average Mass 814.82400
Monoisotopic Mass 814.32593
InChI InChI=1S/C38H54O19/c1-18(11-7-13-20(3)34(50)56-37-32(48)29(45)26(42)23(16-40)54-37)9-5-6-10-19(2)12-8-14-21(4)35(51)57-38-33(49)30(46)27(43)24(55-38)17-52-36-31(47)28(44)25(41)22(15-39)53-36/h5-14,22-33,36-49H,15-17H2,1-4H3/b6-5+,11-7+,12-8+,18-9+,19-10+,20-13+,21-14+/t22-,23-,24-,25-,26-,27-,28+,29+,30+,31-,32-,33-,36-,37+,38+/m1/s1
InChIKey CZSBHMFVVLYIQQ-DRVLGOCHSA-N
SMILES CC(\C=C\C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=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 β-D-glucosyl crocetin (CHEBI:62771) is a β-D-glucoside (CHEBI:22798)
β-D-gentiobiosyl β-D-glucosyl crocetin (CHEBI:62771) is a diester (CHEBI:51307)
Synonyms Sources
(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl (2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioate IUPAC
1-[(2E,4E,6E,8E,10E,12E,14E)-β-D-glucopyranosyl 2,6,11,15-tetramethyl-2,4,6,8,10,12,14-hexadecaheptaenedioate] 6-O-β-D-glucopyranosyl-β-D-glucopyranose HMDB
β-D-gentiobiosyl β-D-glucosyl crocetin UniProt
trans-crocetin (β-D-glucosyl)(β-D-gentibiosyl) ester ChEBI
trans-crocetin (β-D-glucosyl)-(β-D-gentibiosyl) ester ChEBI
tricrocin HMDB
Manual Xrefs Databases
C17513 KEGG COMPOUND
CPD-8665 MetaCyc
HMDB0002376 HMDB
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Registry Number Type Source
1615324 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
15605174 PubMed citation Europe PMC
Last Modified
28 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.