EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:142958 - monoglucosyl-enterobactin

ChEBI IDCHEBI:142958
ChEBI Namemonoglucosyl-enterobactin
Stars
Last Modified3 December 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC36H37N3O20
Net Charge0
Average Mass831.693
Monoisotopic Mass831.19704
SMILESO=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cccc(O)c2O)COC(=O)[C@@H](NC(=O)c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(O)c2O)COC1=O)c1cccc(O)c1O
InChIInChI=1S/C36H37N3O20/c40-9-23-27(47)28(48)29(49)30(59-23)13-7-16(26(46)22(43)8-13)33(52)39-19-12-58-35(54)17(37-31(50)14-3-1-5-20(41)24(14)44)10-56-34(53)18(11-57-36(19)55)38-32(51)15-4-2-6-21(42)25(15)45/h1-8,17-19,23,27-30,40-49H,9-12H2,(H,37,50)(H,38,51)(H,39,52)/t17-,18-,19-,23+,27+,28-,29+,30-/m0/s1
InChIKeyOZCSADRHPOQOPI-AEZKMRPASA-N
ChEBI Ontology
Outgoing Relation(s)
monoglucosyl-enterobactin (CHEBI:142958) has functional parent enterobactin (CHEBI:28855)
monoglucosyl-enterobactin (CHEBI:142958) is a C-glycosyl compound (CHEBI:20857)
monoglucosyl-enterobactin (CHEBI:142958) is a macrotriolide (CHEBI:145559)
UniProt Name  Source
monoglucosyl-enterobactinUniProt
Manual XrefsDatabases
CPD-21577MetaCyc
Citations