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CHEBI:197815 - Asterobactin A

ChEBI IDCHEBI:197815
ChEBI NameAsterobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H55N7O13
Net Charge0
Average Mass769.850
Monoisotopic Mass769.38578
SMILESCCCCCCCCC(OC(=O)C(CCCN(O)C=O)NC(=O)C(O)COC(=O)c1ccccc1O)C(C)C(=O)NC(CCCN(O)C(=N)N)C(=O)NO
InChIInChI=1S/C34H55N7O13/c1-3-4-5-6-7-8-17-28(22(2)29(45)37-24(30(46)39-50)14-12-19-41(52)34(35)36)54-33(49)25(15-11-18-40(51)21-42)38-31(47)27(44)20-53-32(48)23-13-9-10-16-26(23)43/h9-10,13,16,21-22,24-25,27-28,43-44,50-52H,3-8,11-12,14-15,17-20H2,1-2H3,(H3,35,36)(H,37,45)(H,38,47)(H,39,46)
InChIKeyICFNGWYSCWYFGU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Nocardia asteroides (ncbitaxon:1824) - PubMed (12195966)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Asterobactin A (CHEBI:197815) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxoundecan-3-yl]oxy-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate
Manual XrefsDatabases
8185974ChemSpider