CHEBI:65466 - batzelladine A

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name batzelladine A
Definition A carboxylic ester obtained by the formal condensation of (2aS,3S,4R,7R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylic acid with the hydroxy group of 4-carbamimidamidobutyl (3R)-3-(9-hydroxynonyl)-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidine-4-carboxylate. Isolated from a bright red Caribbean sponge, Batzella, it has potential anti-HIV activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C42H73N9O4
Net Charge 0
Average Mass 768.08690
Monoisotopic Mass 767.57855
InChI InChI=1S/C42H73N9O4/c1-3-4-5-6-8-11-14-20-31-29-32-23-24-35-36(30(2)47-42(48-31)51(32)35)38(52)54-27-17-13-10-7-9-12-15-21-33-37(34-22-19-26-50(34)41(45)49-33)39(53)55-28-18-16-25-46-40(43)44/h30-33,35-36H,3-29H2,1-2H3,(H2,45,49)(H,47,48)(H4,43,44,46)/t30-,31-,32+,33-,35+,36+/m1/s1
Metabolite of Species Details
Batzella (ITIS:659394) See: DOI
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.
(via alkaloid )
anti-HIV-1 agent
An anti-HIV agent that destroys or inhibits the replication of HIV-1, the more infective and more virulent of the two types of HIV virus.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing batzelladine A (CHEBI:65466) has role anti-HIV-1 agent (CHEBI:64947)
batzelladine A (CHEBI:65466) has role metabolite (CHEBI:25212)
batzelladine A (CHEBI:65466) is a alkaloid (CHEBI:22315)
batzelladine A (CHEBI:65466) is a carboxylic ester (CHEBI:33308)
batzelladine A (CHEBI:65466) is a guanidines (CHEBI:24436)
batzelladine A (CHEBI:65466) is a organic heterotricyclic compound (CHEBI:26979)
batzelladine A (CHEBI:65466) is a pyrrolopyrimidine (CHEBI:38670)
batzelladine A (CHEBI:65466) is a triazaacenaphthylene (CHEBI:88047)
9-{(3R)-4-[(4-carbamimidamidobutoxy)carbonyl]-1-imino-1,2,3,5,6,7-hexahydropyrrolo[1,2-c]pyrimidin-3-yl}nonyl (2aS,3S,4R,7R,8aS)-4-methyl-7-nonyl-2,2a,3,4,6,7,8,8a-octahydro-1H-5,6,8b-triazaacenaphthylene-3-carboxylate
Registry Number Type Source
147664-18-4 CAS Registry Number ChemIDplus
Citation Waiting for Citations Type Source
11388864 PubMed citation Europe PMC
Last Modified
28 September 2015