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CHEBI:203138 - Malleobactin D

ChEBI IDCHEBI:203138
ChEBI NameMalleobactin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H80N16O23
Net Charge0
Average Mass1225.235
Monoisotopic Mass1224.55822
SMILESNCCCCNC(=O)[C@H](CCCN(O)C=O)NC(=O)[C@H](CO)NC(=O)[C@H](NC(=O)[C@H](CCC/N=[N+](\[O-])CCC[C@H](NC=O)C(=O)N[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN(O)C=O)C(=O)NCCCCN)[C@@H](O)C(=O)O)NC=O)[C@@H](O)C(=O)O
InChIInChI=1S/C46H80N16O23/c47-13-1-3-15-49-37(71)29(11-6-18-60(83)25-67)54-41(75)31(21-63)56-43(77)33(35(69)45(79)80)58-39(73)27(51-23-65)9-5-17-53-62(85)20-8-10-28(52-24-66)40(74)59-34(36(70)46(81)82)44(78)57-32(22-64)42(76)55-30(12-7-19-61(84)26-68)38(72)50-16-4-2-14-48/h23-36,63-64,69-70,83-84H,1-22,47-48H2,(H,49,71)(H,50,72)(H,51,65)(H,52,66)(H,54,75)(H,55,76)(H,56,77)(H,57,78)(H,58,73)(H,59,74)(H,79,80)(H,81,82)/b62-53-/t27-,28-,29-,30-,31-,32-,33+,34+,35+,36+/m0/s1
InChIKeyAOKYZSLJEULWJU-KOSIIYQHSA-N
Species of MetaboliteComponentSourceComments
Burkholderia mallei (ncbitaxon:13373) - PubMed (23821334)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Malleobactin D (CHEBI:203138) is a oligopeptide (CHEBI:25676)