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CHEBI:221196 - Frankobactin A2

ChEBI IDCHEBI:221196
ChEBI NameFrankobactin A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H51N9O12
Net Charge0
Average Mass777.833
Monoisotopic Mass777.36572
SMILESC[C@H]1OC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCNO)N(C)C(=O)[C@@H]1NC(=O)CCNC(=O)[C@@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C34H51N9O12/c1-20-28(41-27(46)13-16-36-29(47)24-18-54-32(40-24)21-8-3-4-12-26(21)45)33(50)42(2)25(11-6-15-37-52)31(49)38-22(9-5-14-35)30(48)39-23(34(51)55-20)10-7-17-43(53)19-44/h3-4,8,12,19-20,22-25,28,37,45,52-53H,5-7,9-11,13-18,35H2,1-2H3,(H,36,47)(H,38,49)(H,39,48)(H,41,46)/t20-,22+,23+,24+,25+,28-/m1/s1
InChIKeyIBPQKXCUPSWGFW-HNSCFVPZSA-N
Species of MetaboliteComponentSourceComments
Parafrankiaspecies CH37 (ncbitaxon:683308) - PubMed (33789052)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Frankobactin A2 (CHEBI:221196) is a cyclodepsipeptide (CHEBI:35213)