CHEBI:65969 - sodium globostellatate A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium globostellatate A
ChEBI ID CHEBI:65969
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C32H43NaO7
Net Charge 0
Average Mass 562.66940
Monoisotopic Mass 562.29065
InChI InChI=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
InChIKey PIQXLCRSDXWNHI-DKNHMXAFSA-M
SMILES [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(\C)C(=O)\C=C\C(C)=C\C=C\C(C)(C)O)[C@@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C([O-])=O
Metabolite of Species Details
Stelletta globostellata (WORMS:194014) See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Citation Waiting for Citations Type Source
8778241 PubMed citation Europe PMC
Last Modified
08 February 2013