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Tricarbonyl(methyl-η5- Cyclopentadienyl)manganese

UUID 0bc461e7-1298-416e-b8c0-d724260e5616
Flow Object IDfo-d60a65e7ef3de009
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 12108-13-3
EC Numbers 235-166-5
prefLabel
Language Value Provenance
en Tricarbonyl(methyl-η5- Cyclopentadienyl)manganese
altLabel
Language Value Provenance
en (Methylcyclopentadienyl)tricarbonylmanganese
en 2-Methylcyclopentadienylmanganese tricarbonyl
en Ethyl MMT
en Hitec 3000
en Hitec 3062
en MMT
en Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-
en Manganese, tricarbonyl(methylcyclopentadienyl)-
en Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-
en Methylcyclopentadienylmanganese tricarbonyl
en Methylcymantrene
en NSC 22316
en Tricarbonyl(2-methylcyclopentadienyl)manganese
en Tricarbonyl(methyl-π-cyclopentadienyl)manganese
en Tricarbonyl(methylcyclopentadienyl)manganese
en Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese
en Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese(I)
en Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese
en π-Methylcyclopentadienylmanganese tricarbonyl
References
Shared Properties
Predicate Value
InChIKey BWEUZSRDTRCASX-UHFFFAOYSA-N, DNMGTQRSVXYUHK-UHFFFAOYSA-N, FOIZRFNUXDWKNV-UHFFFAOYSA-N, IKAJRTVRINTIIP-UHFFFAOYSA-N, ILKCLLLOGPDNIP-RCWTZXSCSA-N, IYSGJCJSRBFZSZ-UHFFFAOYSA-N, LYHJNAIHGFWRKM-UHFFFAOYSA-N, MOLBIOHXCKMLTC-UHFFFAOYSA-N, NWXJGQKPHZUZAR-UHFFFAOYSA-N, OEPJKCMPNXJKAE-UHFFFAOYSA-N, OTMVVLKSEVBNCX-UHFFFAOYSA-N, PIVRQNUPYVIVCC-UHFFFAOYSA-N, RGEZHZRUQVDILM-UHFFFAOYSA-N, ZAKSCXKVYUNNHM-UHFFFAOYSA-N
InChI InChI=1S/C14H27N3O5S2/c1-8(18)11(14(21)22)17-13(20)10(5-7-24-3)16-12(19)9(15)4-6-23-2/h8-11,18H,4-7,15H2,1-3H3,(H,16,19)(H,17,20)(H,21,22)/t8-,9+,10+,11+/m1/s1, InChI=1S/C5H5.3CH2O.CH3.Mn/c1-2-4-5-3-1;3*1-2;;/h1-3H,4H2;3*1H2;1H3;/q-1;;;;-1;+2, InChI=1S/C5H5.3CO.CH3.Mn/c1-2-4-5-3-1;3*1-2;;/h1-3H,4H2;;;;1H3;/q-1;;;;-1;+2, InChI=1S/C6H12.3CHO.Mn/c1-6-4-2-3-5-6;3*1-2;/h6H,2-5H2,1H3;3*1H;/q;3*+1;, InChI=1S/C6H12.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h6H,2-5H2,1H3;;;;, InChI=1S/C6H3.3CH2O.Mn/c1-6-4-2-3-5-6;3*1-2;/h1H3;3*1H2;/q-1;;;;, InChI=1S/C6H3.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h1H3;;;;/q-5;;;;, InChI=1S/C6H7.3CH2O.Mn/c1-6-4-2-3-5-6;3*1-2;/h2,4H,3H2,1H3;3*1H2;/q-1;;;;, InChI=1S/C6H7.3CHO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;3*1H;/q4*-1;, InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2,4-6H,1H3;;;;/q-1;;;;, InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;, InChI=1S/C6H7.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-5H,1H3;;;;/q-1;;;;, InChI=1S/C6H7/c1-6-4-2-3-5-6/h2-5H,1H3/q-1, InChI=1S/C6H8.3CO.Mn/c1-6-4-2-3-5-6;3*1-2;/h2-4H,5H2,1H3;;;;
IUPAC name (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-(methylthio)-1-oxobutyl]amino]-3-hydroxybutanoic acid, (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-(methylthio)butanoyl]amino]-3-hydroxy-butyric acid, (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-hydroxy-butanoic acid, (2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoic acid, (2S,3R)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-oxidanyl-butanoic acid, 5-methylcyclopenta-1,3-diene, carbanide;carbon monoxide;cyclopenta-1,3-diene;manganese(2+), carbanide;cyclopenta-1,3-diene;formaldehyde;manganese(2+), carbanide;cyclopenta-1,3-diene;manganese(2+);methanal, carbon monoxide;manganese;1-methylcyclopenta-1,3-diene, carbon monoxide;manganese;2-methylcyclopenta-1,3-diene, carbon monoxide;manganese;5-methylcyclopenta-1,3-diene, carbon monoxide;manganese;methylcyclopentane, formaldehyde;manganese;1-methylcyclopenta-1,2,3,4-tetraene, formaldehyde;manganese;2-methylcyclopenta-1,3-diene, manganese;methanal;1-methylcyclopenta-1,2,3,4-tetraene, manganese;methanal;2-methylcyclopenta-1,3-diene, manganese;methanone;1-methylcyclopenta-1,3-diene, manganese;methylcyclopentane;methylidyneoxidanium, manganese;methylcyclopentane;methylidyneoxonium, manganous;carbanide;carbon monoxide;cyclopenta-1,3-diene, manganous;carbanide;cyclopenta-1,3-diene;formaldehyde
Molecular formula C14H27N3O5S2, C6H7-, C9H10MnO3-4, C9H12MnO3, C9H13MnO3-, C9H14MnO3, C9H15MnO3+3, C9H3MnO3-5, C9H7MnO3, C9H7MnO3-, C9H8MnO3, C9H9MnO3-
SMILES CC(C(C(=O)O)NC(=O)C(CCSC)NC(=O)C(CCSC)N)O, CC1=C=C=C=[C-]1.C=O.C=O.C=O.[Mn], CC1=CC=CC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn], CC1=CC=C[CH-]1.[CH-]=O.[CH-]=O.[CH-]=O.[Mn], CC1=CC=C[CH]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn], CC1=C[CH-]C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn], CC1=[C-]CC=C1.C=O.C=O.C=O.[Mn], CC1C=C[C-]=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn], CC1CCCC1.C#[O+].C#[O+].C#[O+].[Mn], CC1CCCC1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn], C[C-]1C=CC=C1, C[C-]1[C-]=[C-][C-]=[C-]1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn], C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCSC)N)O, [CH3-].C=O.C=O.C=O.C1C=CC=[C-]1.[Mn+2], [CH3-].[C-]#[O+].[C-]#[O+].[C-]#[O+].C1C=CC=[C-]1.[Mn+2]

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 0bc461e7-1298-416e-b8c0-d724260e5616 tricarbonyl(methyl-η5- cyclopentadienyl)manganese

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 tricarbonyl(methyl-η5- cyclopentadienyl)manganese Emissions/Emissions to water/Emissions to water, unspecified 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=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; cas=12108-13-3; added Common Chemistry CAS names as altLabel: (Methylcyclopentadienyl)tricarbonylmanganese, 2-Methylcyclopentadienylmanganese tricarbonyl, Ethyl MMT, Hitec 3000, Hitec 3062, MMT, Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-, Manganese, tricarbonyl(methylcyclopentadienyl)-, Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-, Methylcyclopentadienylmanganese tricarbonyl, Methylcymantrene, NSC 22316, Tricarbonyl(2-methylcyclopentadienyl)manganese, Tricarbonyl(methyl-π-cyclopentadienyl)manganese, Tricarbonyl(methylcyclopentadienyl)manganese, Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese, Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese(I), Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese, π-Methylcyclopentadienylmanganese tricarbonyl; object_uuid=fo-d60a65e7ef3de009
cas_match_labels 1 consensus_match group_key=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'12108-13-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d60a65e7ef3de009: {'12108-13-3': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': '(Methylcyclopentadienyl)tricarbonylmanganese', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '2-Methylcyclopentadienylmanganese tricarbonyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Ethyl MMT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hitec 3000', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Hitec 3062', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MMT', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Manganese, tricarbonyl(methylcyclopentadienyl)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylcyclopentadienylmanganese tricarbonyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Methylcymantrene', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NSC 22316', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricarbonyl(2-methylcyclopentadienyl)manganese', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricarbonyl(methyl-π-cyclopentadienyl)manganese', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricarbonyl(methylcyclopentadienyl)manganese', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese(I)', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'π-Methylcyclopentadienylmanganese tricarbonyl', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:12108-13-3', 'https://commonchemistry.cas.org/detail?cas_rn=12108-13-3'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; cas=12108-13-3; added Common Chemistry CAS names as altLabel: (Methylcyclopentadienyl)tricarbonylmanganese, 2-Methylcyclopentadienylmanganese tricarbonyl, Ethyl MMT, Hitec 3000, Hitec 3062, MMT, Manganese, tricarbonyl(methyl-π-cyclopentadienyl)-, Manganese, tricarbonyl(methylcyclopentadienyl)-, Manganese, tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]-, Methylcyclopentadienylmanganese tricarbonyl, Methylcymantrene, NSC 22316, Tricarbonyl(2-methylcyclopentadienyl)manganese, Tricarbonyl(methyl-π-cyclopentadienyl)manganese, Tricarbonyl(methylcyclopentadienyl)manganese, Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese, Tricarbonyl(η<sup>5</sup>-methylcyclopentadienyl)manganese(I), Tricarbonyl[(1,2,3,4,5-η)-1-methyl-2,4-cyclopentadien-1-yl]manganese, π-Methylcyclopentadienylmanganese tricarbonyl; object_uuid=fo-d60a65e7ef3de009
cas_match_labels None {'12108-13-3': 'exactMatch'} group_key=tricarbonyl(methyl-η5-cyclopentadienyl)manganese||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory']; cas_sources={'12108-13-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-d60a65e7ef3de009: {'12108-13-3': '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": [
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  "ec_numbers": [
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  "context": {
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    "media": "Water",
    "water_body": "Unknown"
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  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
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      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 38853.0
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      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 38853.0
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  "source": "EF 3.1",
  "identifier": "0bc461e7-1298-416e-b8c0-d724260e5616",
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      "source_metadata": {
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  "properties": {
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      "rdfs:label": "Molecular formula",
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