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CHEBI:142960 - triglucosyl-enterobactin

ChEBI IDCHEBI:142960
ChEBI Nametriglucosyl-enterobactin
Stars
Last Modified3 December 2019
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC48H57N3O30
Net Charge0
Average Mass1155.975
Monoisotopic Mass1155.30269
SMILESO=C(N[C@H]1COC(=O)[C@@H](NC(=O)c2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc(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)c1cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1O
InChIInChI=1S/C48H57N3O30/c52-7-25-31(61)34(64)37(67)40(79-25)13-1-16(28(58)22(55)4-13)43(70)49-19-10-76-47(74)21(51-45(72)18-3-15(6-24(57)30(18)60)42-39(69)36(66)33(63)27(9-54)81-42)12-78-48(75)20(11-77-46(19)73)50-44(71)17-2-14(5-23(56)29(17)59)41-38(68)35(65)32(62)26(8-53)80-41/h1-6,19-21,25-27,31-42,52-69H,7-12H2,(H,49,70)(H,50,71)(H,51,72)/t19-,20-,21-,25+,26+,27+,31+,32+,33+,34-,35-,36-,37+,38+,39+,40-,41-,42-/m0/s1
InChIKeyLXGNQOHOKDJICJ-DXZSBXLRSA-N
ChEBI Ontology
Outgoing Relation(s)
triglucosyl-enterobactin (CHEBI:142960) has functional parent enterobactin (CHEBI:28855)
triglucosyl-enterobactin (CHEBI:142960) is a C-glycosyl compound (CHEBI:20857)
triglucosyl-enterobactin (CHEBI:142960) is a macrotriolide (CHEBI:145559)
UniProt Name  Source
triglucosyl-enterobactinUniProt
Manual XrefsDatabases
CPD-21581MetaCyc
Citations