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CHEBI:226488 - Gladiobactin

ChEBI IDCHEBI:226488
ChEBI NameGladiobactin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H80N14O18
Net Charge0
Average Mass1105.215
Monoisotopic Mass1104.57750
SMILESCCCCCCCCCCCC(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@H](CO)C(=O)N[C@H]1CCCNC(=O)[C@@H](CCCN(O)N=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](CCCN(O)N=O)NC1=O)[C@@H](O)C(=O)O
InChIInChI=1S/C45H80N14O18/c1-2-3-4-5-6-7-8-9-10-20-34(62)55-36(37(64)45(72)73)44(71)54-33(27-61)43(70)53-32(26-60)42(69)52-30-17-13-22-47-38(65)28(18-14-23-58(76)56-74)49-35(63)25-48-39(66)29(16-11-12-21-46)50-41(68)31(51-40(30)67)19-15-24-59(77)57-75/h28-33,36-37,60-61,64,76-77H,2-27,46H2,1H3,(H,47,65)(H,48,66)(H,49,63)(H,50,68)(H,51,67)(H,52,69)(H,53,70)(H,54,71)(H,55,62)(H,72,73)/t28-,29+,30+,31-,32-,33+,36+,37-/m1/s1
InChIKeyWQTARHFENIUMEG-ZDVAZNSHSA-N
Species of MetaboliteComponentSourceComments
Burkholderia gladioli (ncbitaxon:28095) - PubMed (31276269)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Gladiobactin (CHEBI:226488) is a cyclic peptide (CHEBI:23449)