Terminology Service for NFDI4Health

1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium

Go to external page http://purl.obolibrary.org/obo/CHEBI_143328


Term info

Label

1-{[3,5-bis(1-cyano-1-methylethyl)phenyl]methyl}-4-[(3S,4R,5R,6R)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]-1,2,4lambda5-triazol-4-ylium

Subsets

2_STAR

charge

+1

formula

C23H28N5O6

has obo namespace

chebi_ontology

id

CHEBI:143328

inchi

InChI=1S/C23H27N5O6/c1-22(2,9-24)14-5-13(6-15(7-14)23(3,4)10-25)8-28-12-27(11-26-28)20-18(31)16(29)17(30)19(34-20)21(32)33/h5-7,11-12,16-20,29-31H,8H2,1-4H3/p+1/t16-,17-,18+,19-,20?/m0/s1

inchikey

ZVXRGZPUPOVAKU-ZZTJXEITSA-O

mass

470.499

smiles

O=C(O)[C@H]1OC([N+]=2C=NN(C2)CC3=CC(=CC(=C3)C(C#N)(C)C)C(C#N)(C)C)[C@H](O)[C@H]([C@@H]1O)O

Term relations