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CHEBI:65970 - sodium globostellatate B

ChEBI IDCHEBI:65970
ChEBI Namesodium globostellatate B
Stars
DefinitionAn organic sodium salt that is the monosodium salt of globostellatic acid B. Isolated from the marine sponge Stelletta globostellata, it exhibits cytotoxicity against P-388 murine leukemia cells.
Last Modified12 July 2016
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/C(C)(C)O)OC)[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(24(39-9)13-16-30(4,5)38)11-10-12-21(2)28-23(35)19-26-31(6)18-15-27(40-22(3)34)33(8,29(36)37)25(31)14-17-32(26,28)7;/h10-13,16,24-27,38H,14-15,17-19H2,1-9H3,(H,36,37);/q;+1/p-1/b12-10+,16-13+,20-11+,28-21+;/t24?,25-,26+,27-,31+,32+,33-;/m1./s1
InChIKeyBHUMXQLANUZBGM-CKDMDEKCSA-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 B (CHEBI:65970) has part globostellatate B(1−) (CHEBI:72303)
sodium globostellatate B (CHEBI:65970) has role antineoplastic agent (CHEBI:35610)
sodium globostellatate B (CHEBI:65970) has role metabolite (CHEBI:25212)
sodium globostellatate B (CHEBI:65970) is a organic sodium salt (CHEBI:38700)
IUPAC Name 
sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-(acetyloxy)-3-[(3E,5E,8E)-10-hydroxy-7-methoxy-6,10-dimethylundeca-3,5,8-trien-2-ylidene]-3a,6,9a-trimethyl-2-oxododecahydro-1H-cyclopenta[a]naphthalene-6-carboxylate
Citations