CHEBI:143329 - (2S,3S,4S,5R)-6-[2-cyano-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name (2S,3S,4S,5R)-6-[2-cyano-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:143329
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
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Formula C23H27N5O7
Net Charge 0
Average Mass 485.491
Monoisotopic Mass 485.191
InChI InChI=1S/C23H27N5O7/c1-22(2,8-24)14-4-13(7-28-12-26-11-27-28)5-15(6-14)23(3,9-25)10-34-21-18(31)16(29)17(30)19(35-21)20(32)33/h4-6,11-12,16-19,21,29-31H,7,10H2,1-3H3,(H,32,33)/t16-,17-,18+,19-,21?,23?/m0/s1
InChIKey RCRSVHSRIMHUKO-JUVIALTQSA-N
SMILES O=C(O)[C@H]1OC(OCC(C#N)(C2=CC(=CC(=C2)CN3N=CN=C3)C(C#N)(C)C)C)[C@H](O)[C@H]([C@@H]1O)O
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.
(via cyanogenic glycoside )
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ChEBI Ontology
Outgoing (2S,3S,4S,5R)-6-[2-cyano-2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:143329) is a cyanogenic glycoside (CHEBI:23436)