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CHEBI:221217 - Frankobactin C1

ChEBI IDCHEBI:221217
ChEBI NameFrankobactin C1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H55N9O13
Net Charge0
Average Mass809.875
Monoisotopic Mass809.39193
SMILESCC(=O)N(O)CCC[C@H](NC(=O)[C@H](CCCN)NC(=O)[C@H](CCCNO)N(C)C(=O)[C@H](NC(=O)CCNC(=O)[C@@H]1COC(c2ccccc2O)=N1)[C@@H](C)O)C(=O)O
InChIInChI=1S/C35H55N9O13/c1-20(45)29(42-28(48)14-17-37-30(49)25-19-57-33(41-25)22-9-4-5-13-27(22)47)34(52)43(3)26(12-7-16-38-55)32(51)39-23(10-6-15-36)31(50)40-24(35(53)54)11-8-18-44(56)21(2)46/h4-5,9,13,20,23-26,29,38,45,47,55-56H,6-8,10-12,14-19,36H2,1-3H3,(H,37,49)(H,39,51)(H,40,50)(H,42,48)(H,53,54)/t20-,23+,24+,25+,26+,29-/m1/s1
InChIKeyLECQGLMXQFRCBO-RGHMRBNJSA-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 C1 (CHEBI:221217) is a peptide (CHEBI:16670)