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CHEBI:222005 - Pseudovibriamide A2

ChEBI IDCHEBI:222005
ChEBI NamePseudovibriamide A2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H47N11O10S
Net Charge0
Average Mass825.906
Monoisotopic Mass825.32281
SMILESC/C=C(/C(=O)N[C@@H](C)C(=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/C36H47N11O10S/c1-3-25(47-33(54)23(45-36(47)57)16-19-8-10-20(48)11-9-19)30(52)41-18(2)28(50)42-21(6-4-14-40-35(38)39)32(53)46-15-5-7-26(46)31-44-24(17-58-31)29(51)43-22(34(55)56)12-13-27(37)49/h3,8-11,17-18,21-23,26,48H,4-7,12-16H2,1-2H3,(H2,37,49)(H,41,52)(H,42,50)(H,43,51)(H,45,57)(H,55,56)(H4,38,39,40)/b25-3-/t18-,21-,22-,23-,26-/m0/s1
InChIKeyLEZJVJSLKVKQPP-NKVYNWHTSA-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 A2 (CHEBI:222005) is a oligopeptide (CHEBI:25676)