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16-alpha-Hydroxyprednisolone

UUID 91f2e6c4-4678-4a58-834e-08e0672d4b43
Flow Object IDfo-bb72c2946b1e14ef
Source EF 3.1
Context Environmental → Water → Ocean
CAS Numbers 13951-70-7
EC Numbers 237-731-1
prefLabel ⓘ
Language Value Provenance
en 16-alpha-Hydroxyprednisolone
altLabel ⓘ
Language Value Provenance
en 11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione
en 16alpha-hydroxy prednisolone
en 16alpha-hydroxylprednisolone
en (11β,16α)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione
en 11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dione
en 16alpha-Hydroxyprednisolone
en 16α-Hydroxylprednisolone
en Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11β,16α)-
en Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-
en 16α-Hydroxyprednisolone
Definitions
Language Value Provenance
en A 16-hydroxyprednisolone in which the hydroxy group at position 16 adopts α-configuration. It is a metabolite of budesonide found in human urine and plasma.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey SEKYBDYVXDAYPY-ILNISADRSA-N, SEKYBDYVXDAYPY-PMEZYABMSA-N
InChI InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14-,15-,16+,18+,19-,20-,21-/m0/s1, InChI=1S/C21H28O6/c1-19-6-5-12(23)7-11(19)3-4-13-14-8-16(25)21(27,17(26)10-22)20(14,2)9-15(24)18(13)19/h5-7,13-16,18,22,24-25,27H,3-4,8-10H2,1-2H3/t13-,14?,15?,16?,18?,19-,20-,21?/m0/s1
IUPAC name (8S,10R,13S)-10,13-dimethyl-11,16,17-tris(oxidanyl)-17-(2-oxidanylethanoyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one, (8S,10R,13S)-11,16,17-trihydroxy-17-(2-hydroxy-1-oxoethyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one, (8S,10R,13S)-11,16,17-trihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one, (8S,10R,13S)-17-glycoloyl-11,16,17-trihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one
Molecular formula C21H28O6
Molecular mass 376.449
Monoisotopic mass 376.18859
SMILES CC12CC(C3C(C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=CC34C)O, C[C@]12CC(C3[C@H](C1CC(C2(C(=O)CO)O)O)CCC4=CC(=O)C=C[C@]34C)O, [H][C@@]12C[C@@H](O)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@@]21C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 91f2e6c4-4678-4a58-834e-08e0672d4b43 16alpha-hydroxyprednisolone

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 16alpha-hydroxyprednisolone Emissions/Emissions to water/Emissions to sea water kg exactMatch —

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 2 — consensus_match group_key=16alpha-hydroxyprednisolone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=13951-70-7; added Common Chemistry CAS names as altLabel: (11β,16α)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione, 11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dione, 16alpha-Hydroxyprednisolone, 16α-Hydroxylprednisolone, Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11β,16α)-, Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-; object_uuid=fo-bb72c2946b1e14ef
cas_match_labels 1 — consensus_match group_key=16alpha-hydroxyprednisolone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13951-70-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb72c2946b1e14ef: {'13951-70-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=13951-70-7; cc_chebi_agreed_name='16α-Hydroxyprednisolone'; object_uuid=fo-bb72c2946b1e14ef

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyOcean

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': '16alpha-hydroxyprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': '16α-Hydroxyprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=13951-70-7; cc_chebi_agreed_name='16α-Hydroxyprednisolone'; object_uuid=fo-bb72c2946b1e14ef
altLabel [{'@value': '11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxy prednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxy prednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxylprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxylprednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxy prednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxy prednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxylprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxylprednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxyprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] cas=13951-70-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-bb72c2946b1e14ef
altLabel [{'@value': '11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxy prednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxy prednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxylprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxylprednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxyprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'original name retained as altLabel'}}] [{'@value': '11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxy prednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxy prednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '16alpha-hydroxylprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:16alpha-hydroxylprednisolone', 'http://purl.obolibrary.org/obo/CHEBI_173261', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(11β,16α)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=13951-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dione', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=13951-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '16alpha-Hydroxyprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=13951-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '16α-Hydroxylprednisolone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=13951-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11β,16α)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=13951-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:13951-70-7', 'https://commonchemistry.cas.org/detail?cas_rn=13951-70-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=16alpha-hydroxyprednisolone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); cas=13951-70-7; added Common Chemistry CAS names as altLabel: (11β,16α)-11,16,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione, 11β,16α,17,21-Tetrahydroxypregna-1,4-dien-3,20-dione, 16alpha-Hydroxyprednisolone, 16α-Hydroxylprednisolone, Pregna-1,4-diene-3,20-dione, 11,16,17,21-tetrahydroxy-, (11β,16α)-, Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-; object_uuid=fo-bb72c2946b1e14ef
cas_match_labels None {'13951-70-7': 'exactMatch'} group_key=16alpha-hydroxyprednisolone||dimension=Environmental > media=Air > strata=Ground level > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'13951-70-7': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-bb72c2946b1e14ef: {'13951-70-7': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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  "name": null,
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    "water_body": "Ocean"
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  "general_comment": null,
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  "unit": "kg",
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