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CHEBI:221998 - Pseudovibriamide B4

ChEBI IDCHEBI:221998
ChEBI NamePseudovibriamide B4
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H71N13O16S
Net Charge0
Average Mass1142.260
Monoisotopic Mass1141.48624
SMILESC/C=C(\NC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)C(=O)NCC(=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/C50H71N13O16S/c1-5-28(60-50(77)61-31(47(74)75)21-26-11-13-27(64)14-12-26)42(70)56-23-37(66)57-29(9-7-18-55-49(53)54)45(72)62-19-8-10-33(62)44-59-32(24-80-44)43(71)58-30(15-16-36(51)65)48(76)79-35(22-38(67)68)41-34(78-39(69)6-2)17-20-63(41)46(73)40(52)25(3)4/h5,11-14,24-25,29-31,33-35,40-41,64H,6-10,15-23,52H2,1-4H3,(H2,51,65)(H,56,70)(H,57,66)(H,58,71)(H,67,68)(H,74,75)(H4,53,54,55)(H2,60,61,77)/b28-5-/t29-,30-,31-,33-,34?,35?,40-,41?/m0/s1
InChIKeyVUSVMOUTFWGYSU-LNFOJLHHSA-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 B4 (CHEBI:221998) is a depsipeptide (CHEBI:23643)