EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:220115 - Acidobactin A

ChEBI IDCHEBI:220115
ChEBI NameAcidobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H47N7O16
Net Charge0
Average Mass737.717
Monoisotopic Mass737.30793
SMILESCC1CC(=O)NC(CCCN(O)C=O)C(O)CC(=O)NC(C(C)O)C(=O)NC(CCCNO)C(=O)NC(CO)C(=O)NC(C(O)C(=O)O)C(=O)O1
InChIInChI=1S/C28H47N7O16/c1-13-9-19(40)30-15(6-4-8-35(50)12-37)18(39)10-20(41)33-21(14(2)38)26(45)31-16(5-3-7-29-49)24(43)32-17(11-36)25(44)34-22(28(48)51-13)23(42)27(46)47/h12-18,21-23,29,36,38-39,42,49-50H,3-11H2,1-2H3,(H,30,40)(H,31,45)(H,32,43)(H,33,41)(H,34,44)(H,46,47)
InChIKeyGTMKLBCBYHLPOW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Paracidovorax citrulli AAC00-1 (ncbitaxon:397945) - PubMed (26412281)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Acidobactin A (CHEBI:220115) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
2-[17-[3-[ormyl(hydroxy)amino]propyl]-16-hydroxy-9-[3-(hydroxyamino)propyl]-12-(1-hydroxyethyl)-6-(hydroxymethyl)-21-methyl-2,5,8,11,14,19-hexaoxo-1-oxa-4,7,10,13,18-pentazacyclohenicos-3-yl]-2-hydroxyacetic acid