neodysiherbaine A (CHEBI:197441)

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CHEBI:197441 - neodysiherbaine A

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ChEBI ID	CHEBI:197441
ChEBI Name	neodysiherbaine A
Stars
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.
Last Modified	17 October 2023
Submitter	sbalu
Downloads	Molfile

Formula	C11H17NO8
Net Charge	0
Average Mass	291.256
Monoisotopic Mass	291.09542
SMILES	[H][C@@]12C[C@](C[C@H](N)C(=O)O)(C(=O)O)O[C@]1([H])[C@H](O)[C@H](O)CO2
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

Species of Metabolite	Component	Source	Comments
Dysidea herbacea (WORMS:220470)	-	PubMed (11388846)

Roles Classification

Chemical Roles:	Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:	marine metabolite Any metabolite produced during a metabolic reaction in marine macro- and microorganisms. excitatory amino acid agonist An agent that binds to and activates excitatory amino acid receptors. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals.
Application:	excitatory amino acid agonist An agent that binds to and activates excitatory amino acid receptors.

ChEBI Ontology

Outgoing Relation(s)
	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	Source
NDH	SUBMITTER
(−)-neodysiherbaine A	ChEBI

Manual Xrefs	Databases
NDZ	PDBeChem

Citations