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CHEBI:221199 - Frankobactin A3

ChEBI IDCHEBI:221199
ChEBI NameFrankobactin A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H55N9O14
Net Charge0
Average Mass813.863
Monoisotopic Mass813.38685
SMILESC[C@@H](O)[C@@H](NC(=O)CCNC(=O)[C@H](CO)NC(=O)c1ccccc1O)C(=O)N(C)[C@@H](CCCNO)C(=O)N[C@@H](CCCN)C(=O)N[C@@H](CCCN(O)C=O)C(=O)O
InChIInChI=1S/C34H55N9O14/c1-20(46)28(41-27(48)13-16-36-30(50)24(18-44)40-29(49)21-8-3-4-12-26(21)47)33(53)42(2)25(11-6-15-37-56)32(52)38-22(9-5-14-35)31(51)39-23(34(54)55)10-7-17-43(57)19-45/h3-4,8,12,19-20,22-25,28,37,44,46-47,56-57H,5-7,9-11,13-18,35H2,1-2H3,(H,36,50)(H,38,52)(H,39,51)(H,40,49)(H,41,48)(H,54,55)/t20-,22+,23+,24+,25+,28-/m1/s1
InChIKeyGINHURUUWCPWSS-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 A3 (CHEBI:221199) is a peptide (CHEBI:16670)