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CHEBI:221509 - Pepticinnamin H

ChEBI IDCHEBI:221509
ChEBI NamePepticinnamin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC38H46ClN3O8
Net Charge0
Average Mass708.252
Monoisotopic Mass707.29734
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)O
InChIInChI=1S/C38H46ClN3O8/c1-6-7-8-11-26-12-9-10-13-27(26)17-21-33(44)40-30(22-25-14-18-29(43)19-15-25)36(46)42(4)31(37(47)41(3)24(2)38(48)49)23-28-16-20-32(50-5)35(45)34(28)39/h8-16,18-20,24,30-31,43,45H,6-7,17,21-23H2,1-5H3,(H,40,44)(H,48,49)/b11-8-/t24-,30-,31-/m0/s1
InChIKeyRDOQYMWFEZICAG-CERRHUBFSA-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 H (CHEBI:221509) is a peptide (CHEBI:16670)