CHEBI:2450 - aculeacin A

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ChEBI Name aculeacin A
ChEBI ID CHEBI:2450
Definition A lipopeptide that is isolated from Aspergillus aculeatus and exhibits antifungal activity.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C51H82N8O17
Net Charge 0
Average Mass 1079.256
Monoisotopic Mass 1078.57979
InChI InChI=1S/C51H82N8O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-32-23-35(64)47(72)57-49(74)41-42(67)27(2)25-59(41)51(76)39(34(63)24-36(52)65)55-48(73)40(44(69)43(68)29-18-20-30(61)21-19-29)56-46(71)33-22-31(62)26-58(33)50(75)38(28(3)60)54-45(32)70/h18-21,27-28,31-35,38-44,47,60-64,67-69,72H,4-17,22-26H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t27-,28+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1
InChIKey FBCLKBXYZRAXNA-PDIPHZEPSA-N
SMILES C1=CC(=CC=C1O)[C@@H]([C@H]([C@@H]2NC([C@H]3N(C([C@H]([C@@H](C)O)NC([C@@H](NC(CCCCCCCCCCCCCCC)=O)C[C@H]([C@H](NC([C@H]4N(C([C@@H](NC2=O)[C@@H](CC(=O)N)O)=O)C[C@@H]([C@@H]4O)C)=O)O)O)=O)=O)C[C@@H](C3)O)=O)O)O
Metabolite of Species Details
Aspergillus aculeatus (NCBI:txid5053) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
Aspergillus metabolite
Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aculeacin A (CHEBI:2450) has role Aspergillus metabolite (CHEBI:76956)
aculeacin A (CHEBI:2450) has role antifungal agent (CHEBI:35718)
aculeacin A (CHEBI:2450) has role antimicrobial agent (CHEBI:33281)
aculeacin A (CHEBI:2450) is a heterodetic cyclic peptide (CHEBI:24533)
aculeacin A (CHEBI:2450) is a lipopeptide (CHEBI:46895)
Synonyms Sources
aculeacin A IUBMB
Aculeacin A KEGG COMPOUND
Aculeacins ChemIDplus
Manual Xrefs Databases
C00016077 KNApSAcK
C01776 KEGG COMPOUND
CPD-13365 MetaCyc
View more database links
Registry Numbers Types Sources
26317172 Reaxys Registry Number Reaxys
58814-86-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
324959 PubMed citation Europe PMC
324960 PubMed citation Europe PMC
3325782 PubMed citation Europe PMC
7042670 PubMed citation Europe PMC
7042671 PubMed citation Europe PMC
7425782 PubMed citation Europe PMC
Last Modified
18 October 2019