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CHEBI:65969 - sodium globostellatate A

ChEBI IDCHEBI:65969
ChEBI Namesodium globostellatate A
Stars
DefinitionAn organic sodium salt that is the monosodium of globostellatic acid A. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
Last Modified8 February 2013
DownloadsMolfile
FormulaC32H43O7.Na
Net Charge0
Average Mass562.679
Monoisotopic Mass562.29065
SMILES[H][C@@]12CC(=O)/C(=C(/C)C(=O)/C=C/C(C)=C/C=C/C(C)(C)O)[C@@]1(C)CC[C@]1([H])[C@]2(C)CC[C@@H](OC(C)=O)[C@]1(C)C(=O)[O-].[Na+]
InChIInChI=1S/C32H44O7.Na/c1-19(10-9-15-29(4,5)38)11-12-22(34)20(2)27-23(35)18-25-30(6)17-14-26(39-21(3)33)32(8,28(36)37)24(30)13-16-31(25,27)7;/h9-12,15,24-26,38H,13-14,16-18H2,1-8H3,(H,36,37);/q;+1/p-1/b12-11+,15-9+,19-10+,27-20+;/t24-,25+,26-,30+,31+,32-;/m1./s1
InChIKeyPIQXLCRSDXWNHI-DKNHMXAFSA-M
Species of MetaboliteComponentSourceComments
Stelletta globostellata (WORMS:194014) - PubMed (8778241)
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
sodium globostellatate A (CHEBI:65969) has part globostellatate A(1−) (CHEBI:72300)
sodium globostellatate A (CHEBI:65969) has role antineoplastic agent (CHEBI:35610)
sodium globostellatate A (CHEBI:65969) has role metabolite (CHEBI:25212)
sodium globostellatate A (CHEBI:65969) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(4E,6E,8E)-10-hydroxy-6,10-dimethyl-3-oxoundeca-4,6,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Citations