neodysiherbaine A (CHEBI:197441)

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ChEBI Name	neodysiherbaine A

ChEBI ID	CHEBI:197441

Definition	A furopyran that is (3aR,7aR)-hexahydro-2H-furo[3,2-b]pyran substituted by carboxy, (2S)-2-amino-2-carboxyethyl, hydroxy and hydroxy groups at positions 2, 2, 6, and 7, respectively (the 2R,3aR,6R,7R,7aR-stereoisomer). A convulsant isolated from the marine sponge Dysidea herbacea.

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

Submitter	sbalu

Supplier Information

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Formula

C11H17NO8

Net Charge

Average Mass

291.256

Monoisotopic Mass

291.09542

InChI

InChI=1S/C11H17NO8/c12-4(9(15)16)1-11(10(17)18)2-6-8(20-11)7(14)5(13)3-19-6/h4-8,13-14H,1-3,12H2,(H,15,16)(H,17,18)/t4-,5+,6+,7+,8-,11+/m0/s1

InChIKey

NRTJEXLNSCGBJU-FQYLSUDWSA-N

SMILES

[H][C@@]12C[C@@](C[C@H](N)C(O)=O)(O[C@]1([H])[C@H](O)[C@H](O)CO2)C(O)=O

Metabolite of Species	Details
Dysidea herbacea (WORMS:220470)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. excitatory amino acid agonist An agent that binds to and activates excitatory amino acid receptors.

Application(s):	excitatory amino acid agonist An agent that binds to and activates excitatory amino acid receptors.

ChEBI Ontology
Outgoing	neodysiherbaine A (CHEBI:197441) has role animal metabolite (CHEBI:75767) neodysiherbaine A (CHEBI:197441) has role excitatory amino acid agonist (CHEBI:50103) neodysiherbaine A (CHEBI:197441) has role marine metabolite (CHEBI:76507) neodysiherbaine A (CHEBI:197441) is a amino dicarboxylic acid (CHEBI:36164) neodysiherbaine A (CHEBI:197441) is a diol (CHEBI:23824) neodysiherbaine A (CHEBI:197441) is a furopyran (CHEBI:74927) neodysiherbaine A (CHEBI:197441) is a hydroxy carboxylic acid (CHEBI:24669)

IUPAC Name

(2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid

Synonyms

Sources

(−)-neodysiherbaine A

ChEBI

NDH

Note: (2023-10-13) Used as an abbreviation.

SUBMITTER

Last Modified

17 October 2023