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CHEBI:222430 - Bacillibactin F

ChEBI IDCHEBI:222430
ChEBI NameBacillibactin F
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H42N6O16
Net Charge0
Average Mass850.791
Monoisotopic Mass850.26573
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)c1ccccc1
InChIInChI=1S/C39H42N6O16/c1-18-29(43-26(48)15-40-34(53)21-9-5-4-6-10-21)37(56)60-19(2)30(44-27(49)16-41-35(54)22-11-7-13-24(46)32(22)51)39(58)61-20(3)31(38(57)59-18)45-28(50)17-42-36(55)23-12-8-14-25(47)33(23)52/h4-14,18-20,29-31,46-47,51-52H,15-17H2,1-3H3,(H,40,53)(H,41,54)(H,42,55)(H,43,48)(H,44,49)(H,45,50)/t18-,19-,20-,29+,30+,31+/m1/s1
InChIKeyCCPWZQKXETYNMM-ZGWIECESSA-N
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 F (CHEBI:222430) is a cyclodepsipeptide (CHEBI:35213)