CHEBI:138948 - (4S)-2,3-dehydroleucocyanidin(1−)

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ChEBI Name (4S)-2,3-dehydroleucocyanidin(1−)
ChEBI ID CHEBI:138948
ChEBI ASCII Name (4S)-2,3-dehydroleucocyanidin(1-)
Definition An organic anion that is the conjugate base of (4S)-2,3-dehydroleucocyanidin, 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 C15H11O7
Net Charge -1
Average Mass 303.244
Monoisotopic Mass 303.05103
InChI InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13,16-21H/p-1/t13-/m0/s1
InChIKey YAAGNRWEJSZFLV-ZDUSSCGKSA-M
SMILES C1=2[C@@H](C(=C(OC1=CC(=CC2O)O)C3=CC=C(C(=C3)O)O)[O-])O
ChEBI Ontology
Outgoing (4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948) is a organic anion (CHEBI:25696)
(4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948) is conjugate base of (4S)-2,3-dehydroleucocyanidin (CHEBI:139471)
Incoming (4S)-2,3-dehydroleucocyanidin (CHEBI:139471) is conjugate acid of (4S)-2,3-dehydroleucocyanidin(1−) (CHEBI:138948)
IUPAC Name
(4S)-2-(3,4-dihydroxyphenyl)-4,5,7-trihydroxy-4H-1-benzopyran-3-olate
Synonym Source
(4S)-2,3-dehydroleucocyanidin UniProt
Manual Xref Database
CPD-19726 MetaCyc
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Citations Waiting for Citations Types Sources
11796114 PubMed citation SUBMITTER
14552794 PubMed citation SUBMITTER
Last Modified
16 January 2018