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CHEBI:71328 - callysponginol sulfonic acid A

ChEBI IDCHEBI:71328
ChEBI Namecallysponginol sulfonic acid A
Stars
DefinitionA carboxyalkyl sulfate that is tetracos-17-en-3-ynoic acid substituted by a sulfooxy group at position 2 (the 2R,17Z stereoisomer).
Last Modified3 December 2012
Submitternamrata
DownloadsMolfile
FormulaC24H42O6S
Net Charge0
Average Mass458.661
Monoisotopic Mass458.27021
SMILESCCCCCC/C=C\CCCCCCCCCCCCC#C[C@@H](OS(=O)(=O)O)C(=O)O
InChIInChI=1S/C24H42O6S/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)/b8-7-/t23-/m1/s1
InChIKeyYDLFOQAKBQDMDP-XBKFQHLESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
callysponginol sulfonic acid A (CHEBI:71328) is a carboxyalkyl sulfate (CHEBI:38024)
callysponginol sulfonic acid A (CHEBI:71328) is conjugate acid of callysponginol sulfate A(1−) (CHEBI:71326)
Incoming Relation(s)
callysponginol sulfate A(1−) (CHEBI:71326) is conjugate base of callysponginol sulfonic acid A (CHEBI:71328)
IUPAC Name 
(2R,17Z)-2-(sulfooxy)tetracos-17-en-3-ynoic acid