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CHEBI:222041 - Pseudovibriamide B5

ChEBI IDCHEBI:222041
ChEBI NamePseudovibriamide B5
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H73N13O15S
Net Charge0
Average Mass1152.299
Monoisotopic Mass1151.50698
SMILESC/C=C(/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)N1C(=O)N[C@@H](Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C52H73N13O15S/c1-6-26(4)41(54)49(76)64-22-19-36(79-40(70)8-3)42(64)37(24-39(68)69)80-50(77)31(17-18-38(53)67)60-44(72)33-25-81-46(61-33)35-12-10-21-63(35)47(74)30(11-9-20-57-51(55)56)59-43(71)27(5)58-45(73)34(7-2)65-48(75)32(62-52(65)78)23-28-13-15-29(66)16-14-28/h7,13-16,25-27,30-32,35-37,41-42,66H,6,8-12,17-24,54H2,1-5H3,(H2,53,67)(H,58,73)(H,59,71)(H,60,72)(H,62,78)(H,68,69)(H4,55,56,57)/b34-7-/t26?,27-,30+,31+,32+,35+,36?,37?,41+,42?/m1/s1
InChIKeyDPLKFNSFNTWDKG-ZNFJIFIVSA-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 B5 (CHEBI:222041) is a depsipeptide (CHEBI:23643)