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enterobactin

Properties

Image

Occurences in reactions

MNX_ID

MNXM883

	#reac
in my sandbox	0
in MNXref (generic)	30
in models (compartimentalized)	16

formula

C₃₀H₂₆N₃O₁₅

charge

-1

mass

668.53866

reference

chebi:77805

InChIKey

SERBHKJMVBATSJ-BZSNNMDCSA-M

InChI

InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10-12H2,(H,31,40)(H,32,41)(H,33,42)/p-1/t16-,17-,18-/m0/s1

SMILES

Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c2cccc(O)c2[O-])NC(=O)c2cccc(O)c2O)c1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77805 chebi:77805	enterobactin 2-({(3S,7S,11S)-7,11-bis[(2,3-dihydroxybenzoyl)amino]-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl}carbamoyl)-6-hydroxyphenolate enterobactin(1-)
hmdb:HMDB0032199	Chymosin preparation, escherichia coli k-12 (3S-(3R,7R,11R*))-N,n',n''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide) Enterobactin Enterochelin H6ENT N-[(3S,7S,11S)-7,11-bis(2,3-dihydroxybenzamido)-2,6,10-trioxo-1,5,9-trioxacyclododecan-3-yl]-2,3-dihydroxybenzamide Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester enterobactin
seed.compound:cpd03453 seedM:cpd03453	Enterobactin Enterochelin Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester enter enterobactin
bigg.metabolite:enter biggM:enter	Enterochelin
kegg.compound:C05821 keggC:C05821	Enterochelin Enterobactin Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester
CHEBI:38150 chebi:38150	enterobactin(6-) 3,3',3''-{[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(iminocarbonyl)}tribenzene-1,2-diolate ent(6-)
metacyc.compound:ENTEROBACTIN metacycM:ENTEROBACTIN	enterobactin (2,3-dihydroxybenzoylserine)3 N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-O-[N-(2,3-dihydroxybenzoyl)-L-seryl]-L-seryl]-L-serine-(3->1(3))-lactone enterochelin
reactome:R-ALL-1222366 reactomeM:R-ALL-1222366 CHEBI:28855 chebi:28855	enterobactin (3S-(3R,7R,11R*))-N,N',N''-(2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl)tris(2,3-dihydroxybenzamide) Enterobactin Enterochelin H6ent N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide) Tri-(2,3-dihydroxy-N-benzoyl-L-serine)-ester Tri-(N-(2,3-dihydroxybenzoyl)-L-serine)-ester
hmdb:HMDB32199 chebi:23923 chebi:4799 biggM:M_enter keggC:M_C05821 seedM:M_cpd03453	secondary/obsolete/fantasy identifier