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3beta-Acetoxyandrost-5-en-17-one

UUID 08a91e70-3ddc-11dd-9e12-0050c2490048
Flow Object IDfo-acf03df98b673f2f
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 853-23-6
EC Numbers 212-714-1
prefLabel
Language Value Provenance
en 3beta-Acetoxyandrost-5-en-17-one
altLabel ⓘ
Language Value Provenance
en androstenolone acetate
en dehydroisoandosterone 3-acetate
en dehydroisoandrosterone acetate
en (3β)-3-(Acetyloxy)androst-5-en-17-one
en 17-Oxoandrost-5-en-3β-yl acetate
en 3β-Acetoxy-5-androstene-17-one
en 3β-Acetoxyandrost-5-en-17-one
en 3β-Acetoxyandrosta-5-en-17-on
en 3β-Acetoxydehydroepiandrosterone
en 3β-Acetyloxyandrost-5-en-17-one
en 3β-Hydroxy-5-androsten-17-one acetate
en 3β-Hydroxy-5-androstene-17-one acetate
en 3β-Hydroxyandrost-5-en-17-one 3-acetate
en 5-Androsten-3β-ol-17-one acetate
en 5-Androstene-3β-ol-17-one-3-acetate
en <em>trans</em>-Dehydroandrosterone acetate
en Androst-5-en-17-one, 3-(acetyloxy)-, (3β)-
en Androst-5-en-17-one, 3β-hydroxy-, acetate
en DHEA acetate
en Dehydroandrosterone acetate
en Dehydroepiandrost-5-en-17-one 3-acetate
en Dehydroepiandrosterone 3-acetate
en Dehydroisoandrosterone 3-acetate
en Prasterone acetate
en SKF 2847
en Δ<sup>5</sup>-Dehydroepiandrosterone 3-acetate
en Dehydroepiandrosterone Acetate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey NCMZQTLCXHGLOK-ZKHIMWLXSA-N
InChI InChI=1S/C21H30O3/c1-13(22)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(23)21(17,3)11-9-18(16)20/h4,15-18H,5-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1
IUPAC name [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxidanylidene-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ethanoate, [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate, acetic acid [(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester, acetic acid [(3S,8R,9S,10R,13S,14S)-17-keto-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] ester
Molecular formula C21H30O3
Molecular mass 330.468
Monoisotopic mass 330.21949
SMILES CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4=O)C)C, CC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4=O)C)C, [H][C@@]12CC=C3C[C@@H](OC(C)=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 08a91e70-3ddc-11dd-9e12-0050c2490048 dehydroepiandrosterone acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 dehydroepiandrosterone acetate Emissions/Emissions to soil/Emissions to agricultural soil kg exactMatch —

Consolidated Field Provenance

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

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=dehydroepiandrosteroneacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=853-23-6; added Common Chemistry CAS names as altLabel: (3β)-3-(Acetyloxy)androst-5-en-17-one, 17-Oxoandrost-5-en-3β-yl acetate, 3β-Acetoxy-5-androstene-17-one, 3β-Acetoxyandrost-5-en-17-one, 3β-Acetoxyandrosta-5-en-17-on, 3β-Acetoxydehydroepiandrosterone, 3β-Acetyloxyandrost-5-en-17-one, 3β-Hydroxy-5-androsten-17-one acetate, 3β-Hydroxy-5-androstene-17-one acetate, 3β-Hydroxyandrost-5-en-17-one 3-acetate, 5-Androsten-3β-ol-17-one acetate, 5-Androstene-3β-ol-17-one-3-acetate, <em>trans</em>-Dehydroandrosterone acetate, Androst-5-en-17-one, 3-(acetyloxy)-, (3β)-, Androst-5-en-17-one, 3β-hydroxy-, acetate, DHEA acetate, Dehydroandrosterone acetate, Dehydroepiandrost-5-en-17-one 3-acetate, Dehydroepiandrosterone 3-acetate, Dehydroisoandrosterone 3-acetate, Prasterone acetate, SKF 2847, Δ<sup>5</sup>-Dehydroepiandrosterone 3-acetate; object_uuid=fo-acf03df98b673f2f
cas_match_labels 1 — consensus_match group_key=dehydroepiandrosteroneacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'853-23-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-acf03df98b673f2f: {'853-23-6': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': 'androstenolone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:androstenolone acetate', 'http://purl.obolibrary.org/obo/CHEBI_135410', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dehydroisoandosterone 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dehydroisoandosterone 3-acetate', 'http://purl.obolibrary.org/obo/CHEBI_135410', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dehydroisoandrosterone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dehydroisoandrosterone acetate', 'http://purl.obolibrary.org/obo/CHEBI_135410', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': 'androstenolone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:androstenolone acetate', 'http://purl.obolibrary.org/obo/CHEBI_135410', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dehydroisoandosterone 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dehydroisoandosterone 3-acetate', 'http://purl.obolibrary.org/obo/CHEBI_135410', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'dehydroisoandrosterone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:dehydroisoandrosterone acetate', 'http://purl.obolibrary.org/obo/CHEBI_135410', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(3β)-3-(Acetyloxy)androst-5-en-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '17-Oxoandrost-5-en-3β-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Acetoxy-5-androstene-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Acetoxyandrost-5-en-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Acetoxyandrosta-5-en-17-on', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Acetoxydehydroepiandrosterone', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Acetyloxyandrost-5-en-17-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Hydroxy-5-androsten-17-one acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Hydroxy-5-androstene-17-one acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3β-Hydroxyandrost-5-en-17-one 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Androsten-3β-ol-17-one acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '5-Androstene-3β-ol-17-one-3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>trans</em>-Dehydroandrosterone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Androst-5-en-17-one, 3-(acetyloxy)-, (3β)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Androst-5-en-17-one, 3β-hydroxy-, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'DHEA acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dehydroandrosterone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dehydroepiandrost-5-en-17-one 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dehydroepiandrosterone 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dehydroisoandrosterone 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Prasterone acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'SKF 2847', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Δ<sup>5</sup>-Dehydroepiandrosterone 3-acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:853-23-6', 'https://commonchemistry.cas.org/detail?cas_rn=853-23-6'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=dehydroepiandrosteroneacetate||dimension=Environmental > media=Ground > geography=Agricultural; cas=853-23-6; added Common Chemistry CAS names as altLabel: (3β)-3-(Acetyloxy)androst-5-en-17-one, 17-Oxoandrost-5-en-3β-yl acetate, 3β-Acetoxy-5-androstene-17-one, 3β-Acetoxyandrost-5-en-17-one, 3β-Acetoxyandrosta-5-en-17-on, 3β-Acetoxydehydroepiandrosterone, 3β-Acetyloxyandrost-5-en-17-one, 3β-Hydroxy-5-androsten-17-one acetate, 3β-Hydroxy-5-androstene-17-one acetate, 3β-Hydroxyandrost-5-en-17-one 3-acetate, 5-Androsten-3β-ol-17-one acetate, 5-Androstene-3β-ol-17-one-3-acetate, <em>trans</em>-Dehydroandrosterone acetate, Androst-5-en-17-one, 3-(acetyloxy)-, (3β)-, Androst-5-en-17-one, 3β-hydroxy-, acetate, DHEA acetate, Dehydroandrosterone acetate, Dehydroepiandrost-5-en-17-one 3-acetate, Dehydroepiandrosterone 3-acetate, Dehydroisoandrosterone 3-acetate, Prasterone acetate, SKF 2847, Δ<sup>5</sup>-Dehydroepiandrosterone 3-acetate; object_uuid=fo-acf03df98b673f2f
cas_match_labels None {'853-23-6': 'exactMatch'} group_key=dehydroepiandrosteroneacetate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'853-23-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-acf03df98b673f2f: {'853-23-6': '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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  "ec_numbers": [
    "212-714-1"
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  "context": {
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    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "2299222a-bbd8-474f-9d4f-4dd1f18aea7c",
      "name": "Human toxicity, cancer",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 1.3987e-6
    },
    {
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      "name": "Human toxicity, cancer_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 1.3987e-6
    }
  ],
  "source": "EF 3.1",
  "identifier": "08a91e70-3ddc-11dd-9e12-0050c2490048",
  "input_datasets": [
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      "source_metadata": {
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        "original_context": [
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          "Emissions to soil",
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