loading...| Preferred Name |
Gemcitabine triphosphate |
| Synonyms |
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-diluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| ID |
http://purl.obolibrary.org/obo/CHEBI_178151 |
| charge |
0 |
| database_cross_reference |
CAS:110988-86-8 HMDB:HMDB0060638 Chemspider:115568 PDBeChem:GTF |
| formula |
C9H14F2N3O13P3 |
| has_exact_synonym |
[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4,4-diluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| has_obo_namespace |
chebi_ontology |
| id |
CHEBI:178151 |
| in_subset | |
| inchi |
InChI=1S/C9H14F2N3O13P3/c10-9(11)6(15)4(25-7(9)14-2-1-5(12)13-8(14)16)3-24-29(20,21)27-30(22,23)26-28(17,18)19/h1-2,4,6-7,15H,3H2,(H,20,21)(H,22,23)(H2,12,13,16)(H2,17,18,19)/t4-,6-,7-/m1/s1 |
| inchikey |
YMOXEIOKAJSRQX-QPPQHZFASA-N |
| label |
Gemcitabine triphosphate |
| mass |
503.137 |
| monoisotopicmass |
502.97075 |
| notation |
CHEBI:178151 |
| prefLabel |
Gemcitabine triphosphate |
| smiles |
P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(F)(F)[C@@H]1O)(OP(OP(O)(O)=O)(O)=O)(O)=O |
| treeView | |
| subClassOf |
| Delete | Mapping To | Ontology | Source |
|---|---|---|---|
| http://purl.bioontology.org/ontology/MESH/C533693 | Medical Subject Headings / 医学主题词表 | LOOM |