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CHEBI:222031 - Pseudovibriamide B2

ChEBI IDCHEBI:222031
ChEBI NamePseudovibriamide B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H75N13O16S
Net Charge0
Average Mass1170.314
Monoisotopic Mass1169.51754
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)OC(CC(=O)O)C2C(OC(=O)CC)CCN2C(=O)[C@@H](N)C(C)CC)cs1
InChIInChI=1S/C52H75N13O16S/c1-6-26(4)41(54)48(75)65-22-19-36(80-40(70)8-3)42(65)37(24-39(68)69)81-50(78)32(17-18-38(53)67)60-45(73)34-25-82-46(61-34)35-12-10-21-64(35)47(74)31(11-9-20-57-51(55)56)59-43(71)27(5)58-44(72)30(7-2)62-52(79)63-33(49(76)77)23-28-13-15-29(66)16-14-28/h7,13-16,25-27,31-33,35-37,41-42,66H,6,8-12,17-24,54H2,1-5H3,(H2,53,67)(H,58,72)(H,59,71)(H,60,73)(H,68,69)(H,76,77)(H4,55,56,57)(H2,62,63,79)/b30-7-/t26?,27-,31-,32-,33-,35-,36?,37?,41-,42?/m0/s1
InChIKeyZFUKGBHZYCUJKU-FKLDRJFQSA-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 B2 (CHEBI:222031) is a depsipeptide (CHEBI:23643)