CHEBI:142960 - triglucosyl-enterobactin

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name triglucosyl-enterobactin
ChEBI ID CHEBI:142960
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
Download Molfile XML SDF
Formula C48H57N3O30
Net Charge 0
Average Mass 1155.970
Monoisotopic Mass 1155.30269
InChI InChI=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
InChIKey LXGNQOHOKDJICJ-DXZSBXLRSA-N
SMILES C1OC([C@H](COC([C@@H](NC(C2=CC(=CC(=C2O)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)=O)COC([C@H]1NC(C4=CC(=CC(=C4O)O)[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)=O)=O)=O)NC(C6=C(C(=CC(=C6)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)=O)=O
ChEBI Ontology
Outgoing 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)
Synonym Source
triglucosyl-enterobactin UniProt
Manual Xref Database
CPD-21581 MetaCyc accession
View more database links
Citation Waiting for Citations Type Source
15598734 PubMed citation SUBMITTER
Last Modified
03 December 2019