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

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ChEBI Name (4S)-2,3-dehydroleucopelargonidin(1−)
ChEBI ID CHEBI:138950
ChEBI ASCII Name (4S)-2,3-dehydroleucopelargonidin(1-)
Definition An 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.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C15H11O6
Net Charge -1
Average Mass 287.245
Monoisotopic Mass 287.05611
InChI InChI=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
InChIKey GMICVRNSOOSANN-ZDUSSCGKSA-M
SMILES C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C=C3)O)[O-])O
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(4S)-2,3-dehydroleucopelargonidin UniProt
Manual Xref Database
CPD-19725 MetaCyc
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Citations Waiting for Citations Types Sources
11796114 PubMed citation SUBMITTER
14552794 PubMed citation SUBMITTER
Last Modified
16 January 2018