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CHEBI:222015 - Pseudovibriamide A4

ChEBI IDCHEBI:222015
ChEBI NamePseudovibriamide A4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H45N11O10S
Net Charge0
Average Mass811.879
Monoisotopic Mass811.30716
SMILESC/C=C(/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)N1C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C35H45N11O10S/c1-2-24(46-32(53)22(44-35(46)56)15-18-7-9-19(47)10-8-18)29(51)40-16-27(49)41-20(5-3-13-39-34(37)38)31(52)45-14-4-6-25(45)30-43-23(17-57-30)28(50)42-21(33(54)55)11-12-26(36)48/h2,7-10,17,20-22,25,47H,3-6,11-16H2,1H3,(H2,36,48)(H,40,51)(H,41,49)(H,42,50)(H,44,56)(H,54,55)(H4,37,38,39)/b24-2-/t20-,21-,22-,25-/m0/s1
InChIKeyIXXSEHJMHZWUOA-AVAAIMMPSA-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 A4 (CHEBI:222015) is a oligopeptide (CHEBI:25676)