EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:756037 - penimocycline

Default Structure
ChEBI IDCHEBI:756037
ChEBI Namepenimocycline
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC39H43N5O12S
Net Charge0
Average Mass805.863
Monoisotopic Mass805.26289
SMILES[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(=O)NCN[C@@H](C(=O)N[C@@H]4C(=O)N5[C@@H](C(=O)O)C(C)(C)S[C@]45[H])c4ccccc4)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)cccc1[C@@]2(C)O
InChIInChI=1S/C39H43N5O12S/c1-37(2)29(36(53)54)44-34(52)25(35(44)57-37)42-33(51)24(16-10-7-6-8-11-16)40-15-41-32(50)23-28(47)26(43(4)5)19-14-18-22(30(48)39(19,56)31(23)49)27(46)21-17(38(18,3)55)12-9-13-20(21)45/h6-13,18-19,24-26,29,35,40,45,47-48,55-56H,14-15H2,1-5H3,(H,41,50)(H,42,51)(H,53,54)/t18-,19-,24+,25+,26-,29-,35+,38+,39-/m0/s1
InChIKeyZVVMCQBZCQRRME-YABKDXSZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
penimocycline (CHEBI:756037) is a peptide (CHEBI:16670)
INNs  Source
penimociclinaWHO MedNet
penimocyclineWHO MedNet