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CHEBI:214529 - Synechobactin A

ChEBI IDCHEBI:214529
ChEBI NameSynechobactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H48N4O9
Net Charge0
Average Mass560.689
Monoisotopic Mass560.34213
SMILESCCCCCCCCCCCC(=O)N(O)CCCNC(=O)C[C@@](O)(CC(=O)NCCCN(O)C(C)=O)C(=O)O
InChIInChI=1S/C26H48N4O9/c1-3-4-5-6-7-8-9-10-11-14-24(34)30(39)18-13-16-28-23(33)20-26(37,25(35)36)19-22(32)27-15-12-17-29(38)21(2)31/h37-39H,3-20H2,1-2H3,(H,27,32)(H,28,33)(H,35,36)/t26-/m0/s1
InChIKeyPBPRFAHEEMSBKU-SANMLTNESA-N
Species of MetaboliteComponentSourceComments
Synechococcusspecies PCC 7002 (ncbitaxon:32049) - DOI (10.4319/lo.2005.50.6.1918)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Synechobactin A (CHEBI:214529) is a hydroxy fatty acid (CHEBI:24654)
IUPAC Name 
2-[2-[3-[acetyl(hydroxy)amino]propylamino]-2-oxoethyl]-4-[3-[dodecanoyl(hydroxy)amino]propylamino]-2-hydroxy-4-oxobutanoic acid
Manual XrefsDatabases
10481004ChemSpider