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CHEBI:221209 - Frankobactin B2

ChEBI IDCHEBI:221209
ChEBI NameFrankobactin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H49N9O12
Net Charge0
Average Mass763.806
Monoisotopic Mass763.35007
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)CNC(=O)[C@@H]1COC(c2ccccc2O)=N1
InChIInChI=1S/C33H49N9O12/c1-19-27(40-26(45)16-35-28(46)23-17-53-31(39-23)20-8-3-4-12-25(20)44)32(49)41(2)24(11-6-14-36-51)30(48)37-21(9-5-13-34)29(47)38-22(33(50)54-19)10-7-15-42(52)18-43/h3-4,8,12,18-19,21-24,27,36,44,51-52H,5-7,9-11,13-17,34H2,1-2H3,(H,35,46)(H,37,48)(H,38,47)(H,40,45)/t19-,21+,22+,23+,24+,27-/m1/s1
InChIKeyPUSWLFCHWVKWQE-OUBBJWQNSA-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 B2 (CHEBI:221209) is a cyclodepsipeptide (CHEBI:35213)