CHEBI:142959 - diglucosyl-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 diglucosyl-enterobactin
ChEBI ID CHEBI:142959
Stars This entity has been manually annotated by a third party.
Submitter Kristian Axelsen
Supplier Information
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Formula C42H47N3O25
Net Charge 0
Average Mass 993.829
Monoisotopic Mass 993.24986
InChI InChI=1S/C42H47N3O25/c46-8-24-29(54)31(56)33(58)35(69-24)13-4-16(27(52)22(49)6-13)38(61)44-19-11-67-40(63)18(43-37(60)15-2-1-3-21(48)26(15)51)10-66-41(64)20(12-68-42(19)65)45-39(62)17-5-14(7-23(50)28(17)53)36-34(59)32(57)30(55)25(9-47)70-36/h1-7,18-20,24-25,29-36,46-59H,8-12H2,(H,43,60)(H,44,61)(H,45,62)/t18-,19-,20-,24+,25+,29+,30+,31-,32-,33+,34+,35-,36-/m0/s1
InChIKey NIGHGCIRXQBJIN-VUCKQUTDSA-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)=O)=O)=O)NC(C5=C(C(=CC(=C5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)=O)=O
ChEBI Ontology
Outgoing diglucosyl-enterobactin (CHEBI:142959) has functional parent enterobactin (CHEBI:28855)
diglucosyl-enterobactin (CHEBI:142959) is a C-glycosyl compound (CHEBI:20857)
diglucosyl-enterobactin (CHEBI:142959) is a macrotriolide (CHEBI:145559)
Synonyms Sources
diglucosyl-enterobactin UniProt
salmochelin S4 SUBMITTER
Manual Xref Database
CPD-21578 MetaCyc accession
View more database links
Citations Waiting for Citations Types Sources
15259369 PubMed citation SUBMITTER
15598734 PubMed citation SUBMITTER
Last Modified
03 December 2019