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CHEBI:222018 - Pseudovibriamide A5

ChEBI IDCHEBI:222018
ChEBI NamePseudovibriamide A5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H51N11O11S
Net Charge0
Average Mass857.948
Monoisotopic Mass857.34902
SMILESC/C=C(\NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC)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/C37H51N11O11S/c1-4-22(46-37(58)47-25(35(57)59-3)17-20-9-11-21(49)12-10-20)30(52)42-19(2)29(51)43-23(7-5-15-41-36(39)40)33(54)48-16-6-8-27(48)32-45-26(18-60-32)31(53)44-24(34(55)56)13-14-28(38)50/h4,9-12,18-19,23-25,27,49H,5-8,13-17H2,1-3H3,(H2,38,50)(H,42,52)(H,43,51)(H,44,53)(H,55,56)(H4,39,40,41)(H2,46,47,58)/b22-4-/t19-,23-,24-,25-,27-/m0/s1
InChIKeyTVNCPMSTRIQNRC-MUBRTIPBSA-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 A5 (CHEBI:222018) is a polypeptide (CHEBI:15841)