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CHEBI:138950 - (4S)-2,3-dehydroleucopelargonidin(1−)

Default Structure
ChEBI IDCHEBI:138950
ChEBI Name(4S)-2,3-dehydroleucopelargonidin(1−)
Stars
ASCII Name(4S)-2,3-dehydroleucopelargonidin(1-)
DefinitionAn organic anion that is the conjugate base of (4S)-2,3-dehydroleucopelargonidin, obtained by deprotonation of the 3-hydroxy group. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Last Modified16 January 2018
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC15H11O6
Net Charge-1
Average Mass287.247
Monoisotopic Mass287.05611
SMILES[O-]C1=C(c2ccc(O)cc2)Oc2cc(O)cc(O)c2[C@@H]1O
InChIInChI=1S/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13,16-20H/p-1/t13-/m0/s1
InChIKeyGMICVRNSOOSANN-ZDUSSCGKSA-M
ChEBI Ontology
Outgoing Relation(s)
(4S)-2,3-dehydroleucopelargonidin(1−) (CHEBI:138950) is a organic anion (CHEBI:25696)
(4S)-2,3-dehydroleucopelargonidin(1−) (CHEBI:138950) is conjugate base of (4S)-2,3-dehydroleucopelargonidin (CHEBI:139472)
Incoming Relation(s)
(4S)-2,3-dehydroleucopelargonidin (CHEBI:139472) is conjugate acid of (4S)-2,3-dehydroleucopelargonidin(1−) (CHEBI:138950)
IUPAC Name 
(4S)-4,5,7-trihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-3-olate
UniProt Name  Source
(4S)-2,3-dehydroleucopelargonidinUniProt
Manual XrefsDatabases
CPD-19725MetaCyc
Citations