CHEBI:65970 - sodium globostellatate B

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name sodium globostellatate B
ChEBI ID CHEBI:65970
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C33H47NaO7
Net Charge 0
Average Mass 578.71180
Monoisotopic Mass 578.32195
InChI InChI=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
InChIKey BHUMXQLANUZBGM-CKDMDEKCSA-M
SMILES [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(\C)C(OC)\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 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
Citation Waiting for Citations Type Source
8778241 PubMed citation Europe PMC
Last Modified
12 July 2016