CHEBI:232423 - concanavalin A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name concanavalin A
ChEBI ID CHEBI:232423
Stars This entity has been manually annotated by a third party.
Submitter FlyBase
Supplier Information ChemicalBook:CB23152557, eMolecules:2720067, ZINC000000062796
Download Molfile XML SDF
Formula C13H19NO4S.C10H13N5O4
Net Charge 0
Average Mass 552.600
Monoisotopic Mass 552.20023
InChI InChI=1S/C13H19NO4S.C10H13N5O4/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16;1-5-3-15(10(18)12-9(5)17)8-2-6(13-14-11)7(4-16)19-8/h5-8H,3-4,9-10H2,1-2H3,(H,15,16);3,6-8,16H,2,4H2,1H3,(H,12,17,18)
InChIKey RVSZVJZFCQZYHQ-UHFFFAOYSA-N
SMILES CCCN(CCC)S(C1=CC=C(C=C1)C(O)=O)(=O)=O.CC1=CN(C2CC(C(CO)O2)N=[N+]=[N-])C(N=C1O)=O
Metabolite of Species Details
Canavalia ensiformis (NCBI:txid3823) See: PubMed
ChEBI Ontology
Outgoing concanavalin A (CHEBI:232423) is a organic molecular entity (CHEBI:50860)
Citation