EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:222427 - Bacillibactin E

Default Structure
ChEBI IDCHEBI:222427
ChEBI NameBacillibactin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H41N7O16
Net Charge0
Average Mass851.779
Monoisotopic Mass851.26098
SMILESC[C@H]1OC(=O)[C@@H](NC(=O)CNC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)[C@@H](NC(=O)CNC(=O)c2cccc(O)c2O)[C@@H](C)OC(=O)[C@H]1NC(=O)CNC(=O)c1cccnc1
InChIInChI=1S/C38H41N7O16/c1-17-28(43-25(48)14-40-33(53)20-7-6-12-39-13-20)36(56)60-18(2)29(44-26(49)15-41-34(54)21-8-4-10-23(46)31(21)51)38(58)61-19(3)30(37(57)59-17)45-27(50)16-42-35(55)22-9-5-11-24(47)32(22)52/h4-13,17-19,28-30,46-47,51-52H,14-16H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,50)/t17-,18-,19-,28+,29+,30+/m1/s1
InChIKeyLDHAKJTXVVUFRN-QUEONAEMSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (33337146)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bacillibactin E (CHEBI:222427) is a cyclodepsipeptide (CHEBI:35213)