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CHEBI:222011 - Pseudovibriamide A3

ChEBI IDCHEBI:222011
ChEBI NamePseudovibriamide A3
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H47N11O11S
Net Charge0
Average Mass829.894
Monoisotopic Mass829.31772
SMILESC/C=C(\NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1c1nc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)cs1
InChIInChI=1S/C35H47N11O11S/c1-2-20(44-35(57)45-23(33(55)56)15-18-7-9-19(47)10-8-18)28(50)40-16-27(49)41-21(5-3-13-39-34(37)38)31(52)46-14-4-6-25(46)30-43-24(17-58-30)29(51)42-22(32(53)54)11-12-26(36)48/h2,7-10,17,21-23,25,47H,3-6,11-16H2,1H3,(H2,36,48)(H,40,50)(H,41,49)(H,42,51)(H,53,54)(H,55,56)(H4,37,38,39)(H2,44,45,57)/b20-2-/t21-,22-,23-,25-/m0/s1
InChIKeyVWQJCQPHGPHARU-MKPBVODGSA-N
Species of MetaboliteComponentSourceComments
Pseudovibrio (ncbitaxon:258255) - PubMed (33961724)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudovibriamide A3 (CHEBI:222011) is a polypeptide (CHEBI:15841)