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CHEBI:65971 - sodium globostellatate C

Default Structure
ChEBI IDCHEBI:65971
ChEBI Namesodium globostellatate C
Stars
DefinitionAn organic sodium salt that is the monosodium salt of globostellatic acid C. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
Last Modified8 February 2013
DownloadsMolfile
FormulaC33H47O7.Na
Net Charge0
Average Mass578.722
Monoisotopic Mass578.32195
SMILES[H][C@@]12CC(=O)/C(=C(C)\C=C\C=C(C)\C=C\C(OC)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/C33H48O7.Na/c1-20(13-14-26(39-9)30(4,5)38)11-10-12-21(2)28-23(35)19-25-31(6)18-16-27(40-22(3)34)33(8,29(36)37)24(31)15-17-32(25,28)7;/h10-14,24-27,38H,15-19H2,1-9H3,(H,36,37);/q;+1/p-1/b12-10+,14-13+,20-11+,28-21+;/t24-,25+,26?,27-,31+,32+,33-;/m1./s1
InChIKeyGMHCRJAKMQQTJB-RLOWDUIGSA-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 C (CHEBI:65971) has part globostellatate C(1−) (CHEBI:72306)
sodium globostellatate C (CHEBI:65971) has role antineoplastic agent (CHEBI:35610)
sodium globostellatate C (CHEBI:65971) has role metabolite (CHEBI:25212)
sodium globostellatate C (CHEBI:65971) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,7E)-10-hydroxy-9-methoxy-6,10-dimethylundeca-3,5,7-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Manual XrefsDatabases
10476143ChemSpider
Citations