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CHEBI:198383 - Asterobactin C

ChEBI IDCHEBI:198383
ChEBI NameAsterobactin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H61N7O13
Net Charge0
Average Mass811.931
Monoisotopic Mass811.43274
SMILESCCCCCCCCCCCC(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/C37H61N7O13/c1-3-4-5-6-7-8-9-10-11-20-31(25(2)32(48)40-27(33(49)42-53)17-15-22-44(55)37(38)39)57-36(52)28(18-14-21-43(54)24-45)41-34(50)30(47)23-56-35(51)26-16-12-13-19-29(26)46/h12-13,16,19,24-25,27-28,30-31,46-47,53-55H,3-11,14-15,17-18,20-23H2,1-2H3,(H3,38,39)(H,40,48)(H,41,50)(H,42,49)
InChIKeyJGIVUUUJEPUXSR-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 C (CHEBI:198383) is a depsipeptide (CHEBI:23643)
IUPAC Name 
[3-[[1-[1-[[5-[carbamimidoyl(hydroxy)amino]-1-(hydroxyamino)-1-oxopentan-2-yl]amino]-2-methyl-1-oxotetradecan-3-yl]oxy-5-[ormyl(hydroxy)amino]-1-oxopentan-2-yl]amino]-2-hydroxy-3-oxopropyl] 2-hydroxybenzoate
Manual XrefsDatabases
78444754ChemSpider