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CHEBI:65567 - callysponginol sulfate A

ChEBI IDCHEBI:65567
ChEBI Namecallysponginol sulfate A
Stars
DefinitionAn organic sodium salt which is the monosodium salt of callysponginol sulfonic acid A. It is isolated from the marine sponge Callyspongia truncata as a membrane type 1 matrix metalloproteinase (MT1-MMP) inhibitor.
Last Modified3 December 2012
DownloadsMolfile
FormulaC24H41O6S.Na
Net Charge0
Average Mass480.643
Monoisotopic Mass480.25215
SMILESCCCCCC/C=C\CCCCCCCCCCCCC#C[C@@H](OS(=O)(=O)[O-])C(=O)O.[Na+]
InChIInChI=1S/C24H42O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24(25)26)30-31(27,28)29;/h7-8,23H,2-6,9-20H2,1H3,(H,25,26)(H,27,28,29);/q;+1/p-1/b8-7-;/t23-;/m1./s1
InChIKeyPBGNCXUOHDYVFH-GJUDBQLJSA-M
Species of MetaboliteComponentSourceComments
Callyspongia truncata (WORMS:184415) - PubMed (12713420)
Roles Classification
Biological Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
callysponginol sulfate A (CHEBI:65567) has part callysponginol sulfate A(1−) (CHEBI:71326)
callysponginol sulfate A (CHEBI:65567) has role matrix metalloproteinase inhibitor (CHEBI:50664)
callysponginol sulfate A (CHEBI:65567) has role metabolite (CHEBI:25212)
callysponginol sulfate A (CHEBI:65567) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (1R,16Z)-1-carboxytricos-16-en-2-yn-1-yl sulfate
Citations