CHEBI:75258 - penimepicycline

ChEBI IDCHEBI:75258
ChEBI Namepenimepicycline
Stars
DefinitionA penicillinate salt obtained by combining equimolar amounts of phenoxymethylpenicillin and pipacycline.
Last Modified7 September 2013
SubmitterSteve
DownloadsMolfile
FormulaC16H18N2O5S.C29H38N4O9
Net Charge0
Average Mass937.038
Monoisotopic Mass936.35752
SMILES[H][C@]12C[C@@]3([H])[C@H](N(C)C)C(O)=C(C(=O)NCN4CCN(CCO)CC4)C(=O)[C@@]3(O)C(O)=C1C(=O)c1c(O)cccc1[C@@]2(C)O.[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)COc1ccccc1
InChIInChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1
InChIKeyMEGKRPMNPGTIIG-VNYBMUHKSA-N
Roles Classification
Biological Role:
antimicrobial agent  A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
ChEBI Ontology
Outgoing Relation(s)
penimepicycline (CHEBI:75258) has part phenoxymethylpenicillin(1−) (CHEBI:51355)
penimepicycline (CHEBI:75258) has part pipacycline(1+) (CHEBI:75267)
penimepicycline (CHEBI:75258) has role antimicrobial agent (CHEBI:33281)
penimepicycline (CHEBI:75258) is a penicillinate salt (CHEBI:75260)
INNs  Source
penimepicyclineKEGG DRUG
penimepicyclinumChemIDplus
penimepiciclinaWHO MedNet
pénimépicyclineWHO MedNet
Synonyms  Source
PenetracyneChemIDplus
Mepicycline penicillinateChemIDplus
HydrocyclineChemIDplus
PenimepiciclinaChemIDplus
pipacycline/penicillin VChEBI
pipacycline-penicillin VChEBI
Manual XrefsDatabases
D07233KEGG DRUG
EA012203Patent
US5637579Patent
GB891004Patent
GB897826Patent
Registry NumbersSources
Reaxys:4921287Reaxys
CAS:4599-60-4KEGG DRUG
CAS:4599-60-4ChemIDplus
Citations