EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:75262 - pipacycline
| Formula | C29H38N4O9 |
| Net Charge | 0 |
| Average Mass | 586.642 |
| Monoisotopic Mass | 586.26388 |
| 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 |
| InChI | InChI=1S/C29H38N4O9/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/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40)/t16-,17-,22-,28+,29-/m0/s1 |
| InChIKey | XATZHCXBMKRRDO-REHNUXHNSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| pipacycline (CHEBI:75262) has role antimicrobial agent (CHEBI:33281) |
| pipacycline (CHEBI:75262) is a N-alkylpiperazine (CHEBI:46845) |
| pipacycline (CHEBI:75262) is a tertiary α-hydroxy ketone (CHEBI:139592) |
| pipacycline (CHEBI:75262) is a tetracyclines (CHEBI:26895) |
| pipacycline (CHEBI:75262) is conjugate base of pipacycline(1+) (CHEBI:75267) |
| Incoming Relation(s) |
| pipacycline(1+) (CHEBI:75267) is conjugate acid of pipacycline (CHEBI:75262) |
| IUPAC Name |
|---|
| (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-N-{[4-(2-hydroxyethyl)piperazin-1-yl]methyl}-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide |
| INNs | Source |
|---|---|
| pipacycline | ChemIDplus |
| pipacyclinum | ChemIDplus |
| pipaciclina | ChemIDplus |
| Synonyms | Source |
|---|---|
| mepicycline | ChEBI |
| N-((4-(2-Hydroxyethyl)-1-piperazinyl)methyl)tetracycline | ChemIDplus |
| N-(4-(beta-Hydroxyethyl)diethylenediamino-1-methyl)tetracycline | ChemIDplus |
| Citations |
|---|