ascorbigen (CHEBI:64944)

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ChEBI Name	ascorbigen

ChEBI ID	CHEBI:64944

Definition	An indolyl carbohydrate that consists of (3aS,6S,6aR)-3,3a,6-trihydroxy-3-tetrahydrofuro[3,2-b]furan-2-one in which position 3 is substituted by an indol-3-ylmethyl group. Formed from indole-3-carbinol and ascorbic acid in brassica vegetables.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C15H15NO6

Net Charge

Average Mass

305.28270

Monoisotopic Mass

305.08994

InChI

InChI=1S/C15H15NO6/c17-11-7-21-15(20)12(11)22-13(18)14(15,19)5-8-6-16-10-4-2-1-3-9(8)10/h1-4,6,11-12,16-17,19-20H,5,7H2/t11-,12+,14?,15-/m0/s1

InChIKey

OMSJCIOTCFHSIT-KNUOEEMSSA-N

SMILES

[H][C@]12OC(=O)C(O)(Cc3c[nH]c4ccccc34)[C@@]1(O)OC[C@@H]2O

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology
Outgoing	ascorbigen (CHEBI:64944) has functional parent L-ascorbic acid (CHEBI:29073) ascorbigen (CHEBI:64944) has role metabolite (CHEBI:25212) ascorbigen (CHEBI:64944) is a indolyl carbohydrate (CHEBI:24821)

IUPAC Name

(3aS,6S,6aR)-3,3a,6-trihydroxy-3-(1H-indol-3-ylmethyl)tetrahydrofuro[3,2-b]furan-2(3H)-one

Synonym	Source
indol-3-ylmethyl-ascorbate	MetaCyc

Last Modified

18 July 2012