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CHEBI:222002 - Pseudovibriamide A1

ChEBI IDCHEBI:222002
ChEBI NamePseudovibriamide A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H49N11O11S
Net Charge0
Average Mass843.921
Monoisotopic Mass843.33337
SMILESC/C=C(\NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)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
InChIInChI=1S/C36H49N11O11S/c1-3-21(45-36(58)46-24(34(56)57)16-19-8-10-20(48)11-9-19)29(51)41-18(2)28(50)42-22(6-4-14-40-35(38)39)32(53)47-15-5-7-26(47)31-44-25(17-59-31)30(52)43-23(33(54)55)12-13-27(37)49/h3,8-11,17-18,22-24,26,48H,4-7,12-16H2,1-2H3,(H2,37,49)(H,41,51)(H,42,50)(H,43,52)(H,54,55)(H,56,57)(H4,38,39,40)(H2,45,46,58)/b21-3-/t18-,22-,23-,24-,26-/m0/s1
InChIKeyDSZGVCDSQFSWIT-JWWYCQQFSA-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 A1 (CHEBI:222002) is a polypeptide (CHEBI:15841)