Spectinomycin

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UUID afa8efc7-a8cc-4f83-9b28-3edf4fe2bf4c

Flow Object ID fo-e455553419229c67

Source EF 3.1

Context Environmental → Air → Aircraft cruise height

CAS Numbers 1695-77-8

EC Numbers 216-911-3

prefLabel

Language	Value	Provenance
`en`	`Spectinomycin`

altLabel ⓘ

Language	Value	Provenance
`en`	`(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one`
`en`	`Antibiotic 2233wp`
`en`	`espectinomicina`
`en`	`spectinomycine`
`en`	`spectinomycinum`
`en`	`(2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4<em>H</em>-pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one`
`en`	`4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-`
`en`	`4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-`
`en`	`4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2<em>R</em>-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-`
`en`	`Actinospectacin`
`en`	`M 141`
`en`	`MeSH ID: D000198`
`en`	`Spectacin`
`en`	`Spectam`
`en`	`Togamycin`
`en`	`Trobicin`
`en`	`U 18409E`

Definitions

Language	Value	Provenance
`en`	A pyranobenzodioxin and antibiotic that is active against gram-negative bacteria and used (as its dihydrochloride pentahydrate) to treat gonorrhea. It is produced by the bacterium Streptomyces spectabilis.

References

Shared Properties

Predicate	Value
Formal charge	`0`
InChIKey	`UNFWWIHTNXNPBV-WXKVUWSESA-N`
InChI	`InChI=1S/C14H24N2O7/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14/h5,7-13,15-16,18-20H,4H2,1-3H3/t5-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1`
IUPAC name	`(1R,3S,5R,8R,10R,11S,12S,13R,14S)-5-methyl-11,13-bis(methylamino)-8,12,14-tris(oxidanyl)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one, (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one`
Molecular formula	`C14H24N2O7`
Molecular mass	`332.353`
Monoisotopic mass	`332.15835`
SMILES	`CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O, C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O, [H][C@]12O[C@@H]3[C@@H](O)[C@H](NC)[C@H](O)[C@H](NC)[C@H]3O[C@@]1(O)C(=O)C[C@@H](C)O2`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`afa8efc7-a8cc-4f83-9b28-3edf4fe2bf4c`	spectinomycin

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	spectinomycin	Emissions/Emissions to air/Emissions to lower stratosphere and upper troposphere	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=spectinomycin\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=1695-77-8; added Common Chemistry CAS names as altLabel: (2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4<em>H</em>-pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, 4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, 4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-, 4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2<em>R</em>-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-, Actinospectacin, M 141, MeSH ID: D000198, Spectacin, Spectam, Togamycin, Trobicin, U 18409E; object_uuid=fo-e455553419229c67
`cas_match_labels`	1	`—`	consensus_match	group_key=spectinomycin\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1695-77-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e455553419229c67: {'1695-77-8': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Air
strata	Aircraft cruise height

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	[{'@value': '(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Antibiotic 2233wp', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Antibiotic 2233wp', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'espectinomicina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:espectinomicina', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'spectinomycine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:spectinomycine', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'spectinomycinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:spectinomycinum', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}]	[{'@value': '(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)decahydro-4H-pyrano[2,3-b][1,4]benzodioxin-4-one', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Antibiotic 2233wp', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Antibiotic 2233wp', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'espectinomicina', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:espectinomicina', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'spectinomycine', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:spectinomycine', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'spectinomycinum', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:spectinomycinum', 'http://purl.obolibrary.org/obo/CHEBI_9215', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4<em>H</em>-pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2<em>R</em>-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Actinospectacin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'M 141', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'MeSH ID: D000198', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spectacin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Spectam', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Togamycin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Trobicin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'U 18409E', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1695-77-8', 'https://commonchemistry.cas.org/detail?cas_rn=1695-77-8'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=spectinomycin\|\|dimension=Environmental > media=Water > water_body=Unknown; cas=1695-77-8; added Common Chemistry CAS names as altLabel: (2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-Decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-4<em>H</em>-pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, 4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, 4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, (2<em>R</em>,4a<em>R</em>,5a<em>R</em>,6<em>S</em>,7<em>S</em>,8<em>R</em>,9<em>S</em>,9a<em>R</em>,10a<em>S</em>)-, 4<em>H</em>-Pyrano[2,3-<em>b</em>][1,4]benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, [2<em>R</em>-(2α,4aβ,5aβ,6β,7β,8β,9α,9aα,10aβ)]-, Actinospectacin, M 141, MeSH ID: D000198, Spectacin, Spectam, Togamycin, Trobicin, U 18409E; object_uuid=fo-e455553419229c67
`cas_match_labels`	`None`	`{'1695-77-8': 'exactMatch'}`	group_key=spectinomycin\|\|dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'1695-77-8': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e455553419229c67: {'1695-77-8': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "afa8efc7-a8cc-4f83-9b28-3edf4fe2bf4c",
  "name": null,
  "cas_numbers": [
    "1695-77-8"
  ],
  "ec_numbers": [
    "216-911-3"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Air",
    "strata": "Aircraft cruise height"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [
    {
      "method_uuid": "05316e7a-b254-4bea-9cf0-6bf33eb5c630",
      "name": "Ecotoxicity, freshwater",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3.4267
    },
    {
      "method_uuid": "fd530f00-9325-424a-92ef-aaac67922fd9",
      "name": "Ecotoxicity, freshwater_organics",
      "methodology": "Environmental Footprint",
      "impact_category": "Aquatic eco-toxicity",
      "impact_indicator": "Comparative Toxic Unit for ecosystems (CTUe) ",
      "characterization_factor": 3.4267
    }
  ],
  "source": "EF 3.1",
  "identifier": "afa8efc7-a8cc-4f83-9b28-3edf4fe2bf4c",
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        "original_context": [
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        ]
      }
    }
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  "prefLabel": [
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