A penicillinate salt obtained by combining equimolar amounts of phenoxymethylpenicillin and pipacycline.
Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.
CHEBI:75260| Molecular formula | C16H18N2O5S.C29H38N4O9 |
|---|---|
| Charge | 0 |
| Average mass | 937.038 Da |
| Monoisotopic mass | 936.35752 Da |
| Source | ChEBI |
| InChIKey | MEGKRPMNPGTIIG-VNYBMUHKSA-N |
[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
InChI=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
CHEBI:33281| Source | Native ID | Label | Minted CURIE | Version |
|---|---|---|---|---|
| CHEBI | CHEBI:75258 |
penimepicycline | antibioticmech:chebi-8c886caec9 |
2026-08-30 |
Seeded from data/raw/ inventories (CHEBI)
Re-seeded from updated data/raw/ inventories
Re-seeded from updated data/raw/ inventories