Coronavirus Infectious Disease Ontology

Last uploaded: February 16, 2024
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Preferred Name

6-methylprednisolone
Synonyms

[H][C@@]12CC(C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO

InChIKey=VHRSUDSXCMQTMA-UWKORSIYSA-N

(11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1

C22H30O5

11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
Definitions

A 3-oxo steroid that has formula C22H30O5.
ID

http://purl.obolibrary.org/obo/CHEBI_50366
alternative term

[H][C@@]12CC(C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO

InChIKey=VHRSUDSXCMQTMA-UWKORSIYSA-N

(11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1

C22H30O5

11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
charge

0
database_cross_reference

Beilstein:7113955
formula

C22H30O5
has exact synonym

11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione
has functional parent

http://purl.obolibrary.org/obo/CHEBI_8378
has_obo_namespace

chebi_ontology
has_related_synonym

[H][C@@]12CC(C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])[C@@H](O)C[C@@]1(C)[C@@]2([H])CC[C@]1(O)C(=O)CO

InChIKey=VHRSUDSXCMQTMA-UWKORSIYSA-N

(11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1

C22H30O5
id

CHEBI:50366
imported from

http://purl.obolibrary.org/obo/chebi.owl

http://purl.obolibrary.org/obo/dron.owl
in subset

http://purl.oboInOwllibrary.org/oboInOwl/chebi#3_STAR
inchi

InChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12?,14-,15-,17-,19+,20-,21-,22-/m0/s1
inchikey

VHRSUDSXCMQTMA-UWKORSIYSA-N
label

6-methylprednisolone
mass

374.47060
monoisotopicmass

374.20932
notation

CHEBI:50366
prefLabel

6-methylprednisolone
smiles

CC1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12
textual definition

A 3-oxo steroid that has formula C22H30O5.
subClassOf

http://purl.obolibrary.org/obo/CHEBI_139590

http://purl.obolibrary.org/obo/CHEBI_139592

http://purl.obolibrary.org/obo/CHEBI_36885

http://purl.obolibrary.org/obo/CHEBI_47788

http://purl.obolibrary.org/obo/CHEBI_77166

http://purl.obolibrary.org/obo/CHEBI_35344

http://purl.obolibrary.org/obo/CHEBI_35342

http://purl.obolibrary.org/obo/CHEBI_35346
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