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Retinol, acetate

UUID c45dfa62-e262-4ae5-b34b-39b89e64308b
Flow Object IDfo-017a64cdf80abb0b
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 127-47-9
EC Numbers 204-844-2
prefLabel
Language Value Provenance
en Retinol, acetate
altLabel ⓘ
Language Value Provenance
en (2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate
en O(15)-acetylretinol
en Retinol acetate
en Vitamin A alcohol acetate
en all-trans-Retinol acetate
en all-trans-Retinyl acetate
en all-trans-Vitamin A acetate
en <em>all</em>-<em>trans</em>-Retinol acetate
en <em>all</em>-<em>trans</em>-Retinyl acetate
en <em>all</em>-<em>trans</em>-Vitamin A acetate
en <em>trans</em>-Retinol acetate
en <em>trans</em>-Retinyl acetate
en Arovit
en Dry Vitamin A Acetate 325CWS/A
en Myvak
en Myvax
en NSC 122045
en NSC 122760
en Retinol, acetate, <em>all</em>-<em>trans</em>-
en Ro 1-5275
en Rovimix A 1000
en Vitamin A acetate
en Vitamin A<sub>1</sub> acetate
en Retinyl Acetate
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey QGNJRVVDBSJHIZ-QHLGVNSISA-N
InChI InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9+,18-14+
IUPAC name [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate, [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] ethanoate, acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethyl-1-cyclohexenyl)nona-2,4,6,8-tetraenyl] ester, acetic acid [(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] ester
Molecular formula C22H32O2
Molecular mass 328.496
Monoisotopic mass 328.24023
SMILES CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C, CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/COC(=O)C)/C)/C, CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CCOC(=O)C)C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 c45dfa62-e262-4ae5-b34b-39b89e64308b retinyl acetate

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 retinyl 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=retinylacetate||dimension=Environmental > media=Water > water_body=Surface water; cas=127-47-9; added Common Chemistry CAS names as altLabel: <em>all</em>-<em>trans</em>-Retinol acetate, <em>all</em>-<em>trans</em>-Retinyl acetate, <em>all</em>-<em>trans</em>-Vitamin A acetate, <em>trans</em>-Retinol acetate, <em>trans</em>-Retinyl acetate, Arovit, Dry Vitamin A Acetate 325CWS/A, Myvak, Myvax, NSC 122045, NSC 122760, Retinol, acetate, Retinol, acetate, <em>all</em>-<em>trans</em>-, Ro 1-5275, Rovimix A 1000, Vitamin A acetate, Vitamin A<sub>1</sub> acetate; object_uuid=fo-017a64cdf80abb0b
cas_match_labels 1 — consensus_match group_key=retinylacetate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'127-47-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-017a64cdf80abb0b: {'127-47-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
altLabel [{'@value': '(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O(15)-acetylretinol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O(15)-acetylretinol', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Retinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Retinol acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vitamin A alcohol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vitamin A alcohol acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'all-trans-Retinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:all-trans-Retinol acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'all-trans-Retinyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:all-trans-Retinyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'all-trans-Vitamin A acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:all-trans-Vitamin A acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'O(15)-acetylretinol', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:O(15)-acetylretinol', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Retinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Retinol acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Vitamin A alcohol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Vitamin A alcohol acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'all-trans-Retinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:all-trans-Retinol acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'all-trans-Retinyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:all-trans-Retinyl acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'all-trans-Vitamin A acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:all-trans-Vitamin A acetate', 'http://purl.obolibrary.org/obo/CHEBI_32095', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '<em>all</em>-<em>trans</em>-Retinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>all</em>-<em>trans</em>-Retinyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>all</em>-<em>trans</em>-Vitamin A acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>trans</em>-Retinol acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<em>trans</em>-Retinyl acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Arovit', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Dry Vitamin A Acetate 325CWS/A', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Myvak', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Myvax', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 122045', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 122760', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Retinol, acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Retinol, acetate, <em>all</em>-<em>trans</em>-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ro 1-5275', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Rovimix A 1000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vitamin A acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Vitamin A<sub>1</sub> acetate', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:127-47-9', 'https://commonchemistry.cas.org/detail?cas_rn=127-47-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=retinylacetate||dimension=Environmental > media=Water > water_body=Surface water; cas=127-47-9; added Common Chemistry CAS names as altLabel: <em>all</em>-<em>trans</em>-Retinol acetate, <em>all</em>-<em>trans</em>-Retinyl acetate, <em>all</em>-<em>trans</em>-Vitamin A acetate, <em>trans</em>-Retinol acetate, <em>trans</em>-Retinyl acetate, Arovit, Dry Vitamin A Acetate 325CWS/A, Myvak, Myvax, NSC 122045, NSC 122760, Retinol, acetate, Retinol, acetate, <em>all</em>-<em>trans</em>-, Ro 1-5275, Rovimix A 1000, Vitamin A acetate, Vitamin A<sub>1</sub> acetate; object_uuid=fo-017a64cdf80abb0b
cas_match_labels None {'127-47-9': 'exactMatch'} group_key=retinylacetate||dimension=Environmental > media=Water > water_body=Surface water; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'127-47-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-017a64cdf80abb0b: {'127-47-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
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  "name": null,
  "cas_numbers": [
    "127-47-9"
  ],
  "ec_numbers": [
    "204-844-2"
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  "context": {
    "dimension": "Environmental",
    "media": "Ground",
    "geography": "Agricultural"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 8.6639
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    {
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      "methodology": "Environmental Footprint",
      "impact_category": "Cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh) ",
      "characterization_factor": 2.9498e-7
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      "impact_category": "Non-cancer human health effects",
      "impact_indicator": "Comparative Toxic Unit for human (CTUh)",
      "characterization_factor": 6.0734e-6
    },
    {
      "method_uuid": "8c3141e9-1f15-43b5-bff2-182e49893a46",
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      "characterization_factor": 6.0734e-6
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
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  "source": "EF 3.1",
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