EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:221505 - Pepticinnamin G

ChEBI IDCHEBI:221505
ChEBI NamePepticinnamin G
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H52ClN5O10
Net Charge0
Average Mass834.367
Monoisotopic Mass833.34027
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[C@H]1NC(=O)CNC1=O
InChIInChI=1S/C43H52ClN5O10/c1-6-7-8-11-28-12-9-10-13-29(28)17-21-36(51)46-32(22-27-14-18-31(50)19-15-27)41(55)49(4)34(23-30-16-20-35(58-5)39(53)38(30)44)42(56)48(3)26(2)43(57)59-25-33-40(54)45-24-37(52)47-33/h8-16,18-20,26,32-34,50,53H,6-7,17,21-25H2,1-5H3,(H,45,54)(H,46,51)(H,47,52)/b11-8-/t26-,32-,33+,34-/m0/s1
InChIKeyGXICVNHVUHOCTR-CCXTWYSHSA-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 G (CHEBI:221505) is a depsipeptide (CHEBI:23643)