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Cell Culture Ontology
Last uploaded:
July 23, 2014
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| Id | http://purl.obolibrary.org/obo/CHEBI_9168
http://purl.obolibrary.org/obo/CHEBI_9168
|
|---|---|
| Preferred Name | sirolimus |
| Definitions |
A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent.
|
| Synonyms |
(-)-Rapamycin
Antibiotic AY 22989
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-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
sirolimusum
Rapamune
rapamycin
sirolimus
(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-hydroxy-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
Sirolimus
|
| Type | http://www.w3.org/2002/07/owl#Class |
All Properties
| definition | A macrolide lactam isolated from Streptomyces hygroscopicus consisting of a 29-membered ring containing 4 trans double bonds, three of which are conjugated. It is an antibiotic, immunosupressive and antineoplastic agent. |
|---|---|
| preferred label |
sirolimus
|
| label |
sirolimus
|
| prefLabel |
sirolimus
|
| database_cross_reference |
CAS:53123-88-9
ChemIDplus:53123-88-9
HMDB:HMDB0015015
LIPID_MAPS_instance:LMPK06000003
KNApSAcK:C00018055
PMID:24409289
DrugBank:DB00877
KEGG DRUG:D00753
Drug_Central:2446
Wikipedia:Rapamycin
PMID:22960739
MeSH:D020123
PMID:22984623
Reaxys:5848501
PMID:22981852
KEGG COMPOUND:53123-88-9
KEGG:D00753
PMID:24341993
SNOMEDCT:116109004
KEGG:C07909
PMID:19587680
PDBeChem:RAP
KEGG COMPOUND:C07909
SNOMEDCT:387014003
NCIt:C1212
See more
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|
| notation |
CHEBI:9168
|
| in_subset | |
| inchi |
InChI=1S/C51H79NO13/c1-30-16-12-11-13-17-31(2)42(61-8)28-38-21-19-36(7)51(60,65-38)48(57)49(58)52-23-15-14-18-39(52)50(59)64-43(33(4)26-37-20-22-40(53)44(27-37)62-9)29-41(54)32(3)25-35(6)46(56)47(63-10)45(55)34(5)24-30/h11-13,16-17,25,30,32-34,36-40,42-44,46-47,53,56,60H,14-15,18-24,26-29H2,1-10H3/b13-11+,16-12+,31-17+,35-25+/t30-,32-,33-,34-,36-,37+,38+,39+,40-,42+,43+,44-,46-,47+,51-/m1/s1
|
| has_related_synonym |
(-)-Rapamycin
Antibiotic AY 22989
(1R,9S,12S,15R,16E,18R,19R,21R,23S,24E,26E,28E,30S,32S,35R)-1,18-dihydroxy-12-{(2S)-1-[(1S,3R,4R)-4-hydroxy-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
sirolimusum
Rapamune
rapamycin
sirolimus
See more
See less
|
| id |
CHEBI:9168
|
| charge |
0
|
| has_obo_namespace |
chebi_ontology
|
| formula |
C51H79NO13
|
| subClassOf | |
| inchikey |
QFJCIRLUMZQUOT-HPLJOQBZSA-N
|
| mass |
914.17190
|
| monoisotopicmass |
913.55514
|
| has_alternative_id |
CHEBI:45276
CHEBI:67812
|
| type | |
| smiles |
[H][C@]1(CC[C@@H](O)[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
|
| 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-hydroxy-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
Sirolimus
|
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