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CHEBI:221212 - Frankobactin B3

ChEBI IDCHEBI:221212
ChEBI NameFrankobactin B3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H53N9O14
Net Charge0
Average Mass799.836
Monoisotopic Mass799.37120
SMILESC[C@@H](O)[C@@H](NC(=O)CNC(=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/C33H53N9O14/c1-19(45)27(40-26(47)16-35-29(49)23(17-43)39-28(48)20-8-3-4-12-25(20)46)32(52)41(2)24(11-6-14-36-55)31(51)37-21(9-5-13-34)30(50)38-22(33(53)54)10-7-15-42(56)18-44/h3-4,8,12,18-19,21-24,27,36,43,45-46,55-56H,5-7,9-11,13-17,34H2,1-2H3,(H,35,49)(H,37,51)(H,38,50)(H,39,48)(H,40,47)(H,53,54)/t19-,21+,22+,23+,24+,27-/m1/s1
InChIKeyFODDHTHRAYJPCC-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 B3 (CHEBI:221212) is a oligopeptide (CHEBI:25676)