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CHEBI:221514 - Pepticinnamin I

ChEBI IDCHEBI:221514
ChEBI NamePepticinnamin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC39H48ClN3O8
Net Charge0
Average Mass722.279
Monoisotopic Mass721.31299
SMILESCCC/C=C\c1ccccc1CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)[C@@H](Cc1ccc(OC)c(O)c1Cl)C(=O)N(C)[C@@H](C)C(=O)OC
InChIInChI=1S/C39H48ClN3O8/c1-7-8-9-12-27-13-10-11-14-28(27)18-22-34(45)41-31(23-26-15-19-30(44)20-16-26)37(47)43(4)32(38(48)42(3)25(2)39(49)51-6)24-29-17-21-33(50-5)36(46)35(29)40/h9-17,19-21,25,31-32,44,46H,7-8,18,22-24H2,1-6H3,(H,41,45)/b12-9-/t25-,31-,32-/m0/s1
InChIKeySYPITNCLZUCKPU-JMJZKUPFSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies PKU-MA01144 (ncbitaxon:2729138) - PubMed (32489098)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pepticinnamin I (CHEBI:221514) is a peptide (CHEBI:16670)