loading...| Preferred Name |
everolimus |
|
| Synonyms |
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone Everolimus Votubia everolimus Zortress Afinitor SDZ-RAD RAD001 Xience V 42-O-(2-hydroxyethyl)rapamycin Afinitor Disperz RAD 001 SDZ RAD everolimusum 40-O-(2-hydroxyethyl)-rapamycin Certican (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
|
| Definitions |
A macrocyclic lactone that is rapamycin in which the hydroxy group attached to the cyclohexyl moiety has been converted into the corresponding 2-hydroxyethyl ether. It is an immunosuppressant and antineoplastic agent. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_68478 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:22363408 PMID:34242751 PMID:33640871 PMID:34527569 PMID:34491881 PMID:22461124 PMID:22983698 DrugBank:DB01590 Drug_Central:1118 PMID:34018490 PMID:33986025 PMID:34253597 PMID:22404500 PMID:22683823 CAS:159351-69-6 PMID:34225066 PMID:22969095 PMID:31478889 PMID:33998365 Wikipedia:Everolimus HMDB:HMDB0015529 Patent:WO2012066502 PMID:22967800 PMID:34467233 LINCS:LSM-43172 PMID:22986894 Patent:RU2008143550 Patent:CN102138903 PMID:34299359 Chemspider:21106307 KEGG:D02714 |
|
| definition |
A macrocyclic lactone that is rapamycin in which the hydroxy group attached to the cyclohexyl moiety has been converted into the corresponding 2-hydroxyethyl ether. It is an immunosuppressant and antineoplastic agent. |
|
| formula |
C53H83NO14 |
|
| has functional parent | ||
| has role |
http://purl.obolibrary.org/obo/CHEBI_35705 http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_68481 |
|
| has_exact_synonym |
(3S,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,34aS)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-hexadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,5,11,28,29(4H,6H,31H)-pentone Everolimus |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
Votubia everolimus Zortress Afinitor SDZ-RAD RAD001 Xience V 42-O-(2-hydroxyethyl)rapamycin Afinitor Disperz RAD 001 SDZ RAD everolimusum 40-O-(2-hydroxyethyl)-rapamycin Certican (1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,35R)-1,18-dihydroxy-12-{(2R)-1-[(1S,3R,4R)-4-(2-hydroxyethoxy)-3-methoxycyclohexyl]propan-2-yl}-19,30-dimethoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.0(4,9)]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone |
|
| id |
CHEBI:68478 |
|
| in_subset | ||
| inchi |
InChI=1S/C53H83NO14/c1-32-16-12-11-13-17-33(2)44(63-8)30-40-21-19-38(7)53(62,68-40)50(59)51(60)54-23-15-14-18-41(54)52(61)67-45(35(4)28-39-20-22-43(66-25-24-55)46(29-39)64-9)31-42(56)34(3)27-37(6)48(58)49(65-10)47(57)36(5)26-32/h11-13,16-17,27,32,34-36,38-41,43-46,48-49,55,58,62H,14-15,18-26,28-31H2,1-10H3/b13-11+,16-12+,33-17+,37-27+/t32-,34-,35-,36-,38-,39+,40+,41+,43-,44+,45+,46-,48-,49+,53-/m1/s1 |
|
| inchikey |
HKVAMNSJSFKALM-GKUWKFKPSA-N |
|
| label |
everolimus |
|
| mass |
958.22440 |
|
| monoisotopicmass |
957.58136 |
|
| notation |
CHEBI:68478 |
|
| prefLabel |
everolimus |
|
| smiles |
[H][C@]1(CC[C@@H](OCCO)[C@@H](C1)OC)C[C@@H](C)[C@]1([H])CC(=O)[C@H](C)\C=C(C)\[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)\C=C\C=C\C=C(C)\[C@H](C[C@]2([H])CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@@]2([H])C(=O)O1)OC |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_59770 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_35681 http://purl.obolibrary.org/obo/CHEBI_15734 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_59770 http://purl.obolibrary.org/obo/CHEBI_25698 http://purl.obolibrary.org/obo/CHEBI_35681 http://purl.obolibrary.org/obo/CHEBI_15734 |