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aerobactin

PropertiesImageOccurences in reactions
MNX_IDMNXM1101938Image of MNXM1101938
#reac
in my sandbox 0
in MNXref (generic)13
in models (compartimentalized) 11
formulaC22H33N4O13
charge-3
mass561.20606
referencechebi:58396
InChIKeyKDHHWXGBNUCREU-HOTGVXAUSA-K
InChIInChI=1S/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,34)(H,35,36)/p-3/t15-,16-/m0/s1
SMILESCC(=O)N(O)CCCC[C@H](NC(=O)CC(O)(CC(=O)N[C@@H](CCCCN(O)C(C)=O)C(=O)[O-])C(=O)[O-])C(=O)[O-]
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
CHEBI:58396
chebi:58396
aerobactin
(8S,16S)-3,12,21-trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylate
N(2),N(2)'-(3-carboxylato-3-hydroxypentanedioyl)bis(N(6)-acetyl-N(6)-hydroxy-L-lysinate)
aerobactinate trianion
aerobactinate(3-)
kegg.compound:C05554
keggC:C05554
Aerobactin
bigg.metabolite:arbtn
biggM:arbtn
Aerobactin minus Fe3
hmdb:HMDB0004051 Aerobactin
(2S)-2-[3-carboxy-3-({[(1S)-1-carboxy-5-(N-hydroxyacetamido)pentyl]carbamoyl}methyl)-3-hydroxypropanamido]-6-(N-hydroxyacetamido)hexanoic acid
(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylate
(8S,16S)-3,12,21-Trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid
Ferric-aerobactin
aerobactin
seed.compound:cpd15411
seedM:cpd15411
aerobactin minus Fe3
arbtn
CHEBI:18157
chebi:18157
aerobactin
(8S,16S)-3,12,21-trihydroxy-2,10,14,22-tetraoxo-3,9,15,21-tetraazatricosane-8,12,16-tricarboxylic acid
Aerobactin
N(2),N(2)'-(3-carboxy-3-hydroxypentanedioyl)bis(N(6)-acetyl-N(6)-hydroxy-L-lysine)
metacyc.compound:AEROBACTIN
metacycM:AEROBACTIN
aerobactin
aerobactin minus Fe3
hmdb:HMDB04051
chebi:13745
chebi:2499
biggM:M_arbtn
keggC:M_C05554
seedM:M_cpd15411
secondary/obsolete/fantasy identifier