CHEBI:65972 - sodium globostellatate D

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ChEBI Name sodium globostellatate D
ChEBI ID CHEBI:65972
Definition An organic sodium salt that is the monosodium salt of globostellatic acid D. 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
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Formula C31H45NaO6
Net Charge 0
Average Mass 536.67520
Monoisotopic Mass 536.31138
InChI InChI=1S/C31H46O6.Na/c1-19(12-13-25(37-8)28(3,4)36)10-9-11-20(2)26-21(32)18-23-29(5)17-15-24(33)31(7,27(34)35)22(29)14-16-30(23,26)6;/h9-13,22-25,33,36H,14-18H2,1-8H3,(H,34,35);/q;+1/p-1/b11-9+,13-12+,19-10+,26-20+;/t22-,23+,24-,25?,29+,30+,31-;/m1./s1
InChIKey CERBHPPRQFHGMC-PULODHPASA-M
SMILES [Na+].[H][C@@]12CC[C@@]3(C)[C@@]([H])(CC(=O)\C3=C(C)/C=C/C=C(C)/C=C/C(OC)C(C)(C)O)[C@@]1(C)CC[C@@H](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 D (CHEBI:65972) has part globostellatate D(1−) (CHEBI:72309)
sodium globostellatate D (CHEBI:65972) has role antineoplastic agent (CHEBI:35610)
sodium globostellatate D (CHEBI:65972) has role metabolite (CHEBI:25212)
sodium globostellatate D (CHEBI:65972) is a organic sodium salt (CHEBI:38700)
IUPAC Name
sodium (3Z,3aS,5aR,6R,7R,9aR,9bS)-7-hydroxy-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 Xref Database
10476144 ChemSpider
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Citation Waiting for Citations Type Source
8778241 PubMed citation Europe PMC
Last Modified
08 February 2013