beta-D-glucosyl crocetin(1-) (CHEBI:62766)

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CHEBI:62766 - β-D-glucosyl crocetin(1−)

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ChEBI ID	CHEBI:62766
ChEBI Name	β-D-glucosyl crocetin(1−)
Stars
ASCII Name	beta-D-glucosyl crocetin(1-)
Definition	A carboxylic acid anion resulting from the removal of a proton from the carboxylic acid group of β-D-glucosyl crocetin. The major species at pH 7.3.
Last Modified	15 September 2011
Submitter	Gareth Owen
Downloads	Molfile

Formula	C26H33O9
Net Charge	-1
Average Mass	489.541
Monoisotopic Mass	489.21301
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
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)/p-1/b6-5+,11-7+,12-8+,16-9+,17-10+,18-13+,19-14+/t20-,21-,22+,23-,26+/m1/s1
InChIKey	ZVGODNZUEWDIPM-YXRLTKITSA-M

ChEBI Ontology

Outgoing Relation(s)
	β-D-glucosyl crocetin(1−) (CHEBI:62766) is a carboxylic acid anion (CHEBI:29067)
	β-D-glucosyl crocetin(1−) (CHEBI:62766) is conjugate base of β-D-glucosyl crocetin (CHEBI:62765)
Incoming Relation(s)
	β-D-glucosyl crocetin (CHEBI:62765) is conjugate acid of β-D-glucosyl crocetin(1−) (CHEBI:62766)

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]-β-D-glucopyranose

UniProt Name	Source
β-D-glucosyl crocetin	UniProt

Manual Xrefs	Databases
CPD-8663	MetaCyc

Citations