(2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143366)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	(2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI ID	CHEBI:143366

Stars	This entity has been manually annotated by a third party.

Submitter	Mark Williams

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Formula

C13H17ClO6

Net Charge

Average Mass

304.724

Monoisotopic Mass

304.071

InChI

InChI=1S/C13H17ClO6/c1-3-13(4-2,5-6-14)11-9(17)7(15)8(16)10(20-11)12(18)19/h1,5-11,15-17H,4H2,2H3,(H,18,19)/b6-5+/t7-,8-,9+,10-,11?,13?/m0/s1

InChIKey

DSYKQOWOESSNRW-FVSMFOBBSA-N

SMILES

Cl/C=C/C(C#C)(C1O[C@H](C(=O)O)[C@@H](O)[C@@H]([C@H]1O)O)CC

ChEBI Ontology
Outgoing	(2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143366) is a enyne (CHEBI:59831) (2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143366) is a organochlorine compound (CHEBI:36683) (2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143366) is a terminal acetylenic compound (CHEBI:73477) (2R,3R,4S,5S)-6-[(1E)-1-chloro-3-ethylpent-1-en-4-yn-3-yl]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143366) is a tertiary alcohol (CHEBI:26878)