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CHEBI:2450 - aculeacin A

ChEBI IDCHEBI:2450
ChEBI Nameaculeacin A
Stars
DefinitionA lipopeptide that is isolated from Aspergillus aculeatus and exhibits antifungal activity.
Last Modified18 October 2019
DownloadsMolfile
FormulaC51H82N8O17
Net Charge0
Average Mass1079.256
Monoisotopic Mass1078.57979
SMILESCCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](O)NC(=O)[C@@H]2[C@@H](O)[C@@H](C)CN2C(=O)[C@H]([C@H](O)CC(N)=O)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O
InChIInChI=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
InChIKeyFBCLKBXYZRAXNA-PDIPHZEPSA-N
Species of MetaboliteComponentSourceComments
Aspergillus aculeatus (ncbitaxon:5053) - PubMed (324959)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
antifungal agent  An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
Aspergillus metabolite  Any fungal metabolite produced during a metabolic reaction in the mould, Aspergillus .
ChEBI Ontology
Outgoing Relation(s)
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  Source
Aculeacin AKEGG COMPOUND
aculeacin AIUBMB
AculeacinsChemIDplus
Manual XrefsDatabases
C01776KEGG COMPOUND
C00016077KNApSAcK
CPD-13365MetaCyc
Registry NumbersSources
Reaxys:26317172Reaxys
CAS:58814-86-1KEGG COMPOUND
CAS:58814-86-1ChemIDplus
Citations