EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222026 - Pseudovibriamide B1

ChEBI IDCHEBI:222026
ChEBI NamePseudovibriamide B1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H73N13O16S
Net Charge0
Average Mass1156.287
Monoisotopic Mass1155.50189
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)C)cs1
InChIInChI=1S/C51H73N13O16S/c1-6-29(61-51(78)62-32(48(75)76)22-27-12-14-28(65)15-13-27)43(71)57-26(5)42(70)58-30(10-8-19-56-50(54)55)46(73)63-20-9-11-34(63)45-60-33(24-81-45)44(72)59-31(16-17-37(52)66)49(77)80-36(23-38(67)68)41-35(79-39(69)7-2)18-21-64(41)47(74)40(53)25(3)4/h6,12-15,24-26,30-32,34-36,40-41,65H,7-11,16-23,53H2,1-5H3,(H2,52,66)(H,57,71)(H,58,70)(H,59,72)(H,67,68)(H,75,76)(H4,54,55,56)(H2,61,62,78)/b29-6-/t26-,30-,31-,32-,34-,35?,36?,40-,41?/m0/s1
InChIKeyCQSGJHDKTNYHCG-CDSYVURASA-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 B1 (CHEBI:222026) is a depsipeptide (CHEBI:23643)