EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:65352 - achromobactin free acid

ChEBI IDCHEBI:65352
ChEBI Nameachromobactin free acid
Stars
DefinitionA tetracarboxylic acid obtained by protonation of the four carboxylate groups of achromobactin. A siderophore biosynthesized by prokaryotes.
Last Modified4 December 2018
Submitternamrata
DownloadsMolfile
FormulaC22H29N3O16
Net Charge0
Average Mass591.479
Monoisotopic Mass591.15478
SMILESO=C(C[C@@](O)(CC(=O)OCCN1C(=O)CCC1(O)C(=O)O)C(=O)O)NCCC(C(=O)O)N1C(=O)CCC1(O)C(=O)O
InChIInChI=1S/C22H29N3O16/c26-12(23-6-3-11(16(30)31)25-14(28)2-5-22(25,40)19(36)37)9-20(38,17(32)33)10-15(29)41-8-7-24-13(27)1-4-21(24,39)18(34)35/h11,38-40H,1-10H2,(H,23,26)(H,30,31)(H,32,33)(H,34,35)(H,36,37)/t11?,20-,21?,22?/m1/s1
InChIKeyJIVPNYWQBCSFIL-MAVSXWESSA-N
Roles Classification
Chemical Roles:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
siderophore  Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron.
ChEBI Ontology
Outgoing Relation(s)
achromobactin free acid (CHEBI:65352) has role siderophore (CHEBI:26672)
achromobactin free acid (CHEBI:65352) is a N-acyl hemiaminal (CHEBI:142734)
achromobactin free acid (CHEBI:65352) is a tetracarboxylic acid (CHEBI:35742)
achromobactin free acid (CHEBI:65352) is conjugate acid of achromobactin (CHEBI:61346)
Incoming Relation(s)
achromobactin (CHEBI:61346) is conjugate base of achromobactin free acid (CHEBI:65352)
Citations