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Blasticidin S

UUID 02fb21ed-1279-4444-91bf-782345fe36fa
Flow Object IDfo-47754b38447b2666
Source EF 3.1
Context Environmental → Ground → Agricultural
CAS Numbers 2079-00-7
EC Numbers 606-640-2
prefLabel ⓘ
Language Value Provenance
en Blasticidin S
altLabel ⓘ
Language Value Provenance
en 4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one
en 4-[[(3<em>S</em>)-3-Amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-β-<span class="text-smallcaps">D</span>-<em>erythro</em>-hex-2-enopyranuronic acid
en <span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[3-amino-5-(1-methylguanidino)valeramido]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-
en Bla-S
en CID 258
en Pubchem CID: 258
en β-<span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[[(3<em>S</em>)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-
Definitions
Language Value Provenance
en A blasticidin that is an antibiotic obtained from Streptomyces griseochromogene.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey CXNPLSGKWMLZPZ-ZNIXKSQXSA-N
InChI InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1
IUPAC name (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]-1-oxopentyl]amino]-6-(4-amino-2-oxo-1-pyrimidinyl)-3,6-dihydro-2H-pyran-2-carboxylic acid, (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxo-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid, (2S,3S,6R)-3-[[(3S)-3-amino-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-amino-2-oxopyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid, (2S,3S,6R)-3-[[(3S)-3-azanyl-5-[carbamimidoyl(methyl)amino]pentanoyl]amino]-6-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid, (2S,3S,6R)-3-[[(3S)-5-[amidino(methyl)amino]-3-amino-pentanoyl]amino]-6-(4-amino-2-keto-pyrimidin-1-yl)-3,6-dihydro-2H-pyran-2-carboxylic acid
Molecular formula C17H26N8O5
Molecular mass 422.446
Monoisotopic mass 422.20262
SMILES CN(CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N, CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N)C(=N)N, [H][C@]1(n2ccc(N)nc2=O)C=C[C@H](NC(=O)C[C@@H](N)CCN(C)C(=N)N)[C@@]([H])(C(=O)O)O1

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 02fb21ed-1279-4444-91bf-782345fe36fa blasticidin-s

Concept Associations

Source List Source Flow Source Context Unit Match Type Conversion Provenance
EF 3.1 blasticidin-s 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 2 — consensus_match group_key=blasticidin-s||dimension=Environmental > media=Ground > geography=Agricultural; cas=2079-00-7; added Common Chemistry CAS names as altLabel: 4-[[(3<em>S</em>)-3-Amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-β-<span class="text-smallcaps">D</span>-<em>erythro</em>-hex-2-enopyranuronic acid, <span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[3-amino-5-(1-methylguanidino)valeramido]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-, Bla-S, CID 258, Pubchem CID: 258, β-<span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[[(3<em>S</em>)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-; object_uuid=fo-47754b38447b2666
cas_match_labels 1 — consensus_match group_key=blasticidin-s||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2079-00-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-47754b38447b2666: {'2079-00-7': 'exactMatch'}
prefLabel 1 — consensus_match cas=2079-00-7; cc_chebi_agreed_name='Blasticidin S'; object_uuid=fo-47754b38447b2666

Context Attributes

AttributeValue
dimensionEnvironmental
mediaGround
geographyAgricultural

Consensus Changes

Field Old Value New Value Comment
prefLabel [{'@value': 'Blasticidin-s', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'bootstrap_labels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['EF 3.1'], 'prov:wasDerivedFrom': 'legacy name field'}}] [{'@value': 'Blasticidin S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7'], 'prov:wasDerivedFrom': 'Common Chemistry / ChEBI primary name agreement'}}] cas=2079-00-7; cc_chebi_agreed_name='Blasticidin S'; object_uuid=fo-47754b38447b2666
altLabel [{'@value': '4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', 'http://purl.obolibrary.org/obo/CHEBI_15353', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Blasticidin S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:Blasticidin S', 'http://purl.obolibrary.org/obo/CHEBI_15353', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', 'http://purl.obolibrary.org/obo/CHEBI_15353', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Blasticidin-s', '@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=2079-00-7; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-47754b38447b2666
altLabel [{'@value': '4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', 'http://purl.obolibrary.org/obo/CHEBI_15353', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': 'Blasticidin-s', '@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': '4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:4-amino-1-(4-{[(3S)-3-amino-5-(N-methylcarbamimidamido)pentanoyl]amino}-2,3,4-trideoxy-beta-D-erythro-hex-2-enopyranuronosyl)pyrimidin-2(1H)-one', 'http://purl.obolibrary.org/obo/CHEBI_15353', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '4-[[(3<em>S</em>)-3-Amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-β-<span class="text-smallcaps">D</span>-<em>erythro</em>-hex-2-enopyranuronic acid', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7', 'https://commonchemistry.cas.org/detail?cas_rn=2079-00-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '<span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[3-amino-5-(1-methylguanidino)valeramido]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7', 'https://commonchemistry.cas.org/detail?cas_rn=2079-00-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Bla-S', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7', 'https://commonchemistry.cas.org/detail?cas_rn=2079-00-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'CID 258', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7', 'https://commonchemistry.cas.org/detail?cas_rn=2079-00-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pubchem CID: 258', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7', 'https://commonchemistry.cas.org/detail?cas_rn=2079-00-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'β-<span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[[(3<em>S</em>)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:2079-00-7', 'https://commonchemistry.cas.org/detail?cas_rn=2079-00-7'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=blasticidin-s||dimension=Environmental > media=Ground > geography=Agricultural; cas=2079-00-7; added Common Chemistry CAS names as altLabel: 4-[[(3<em>S</em>)-3-Amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-β-<span class="text-smallcaps">D</span>-<em>erythro</em>-hex-2-enopyranuronic acid, <span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[3-amino-5-(1-methylguanidino)valeramido]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-, Bla-S, CID 258, Pubchem CID: 258, β-<span class="text-smallcaps">D</span>-<em>erythro</em>-Hex-2-enopyranuronic acid, 4-[[(3<em>S</em>)-3-amino-5-[(aminoiminomethyl)methylamino]-1-oxopentyl]amino]-1-(4-amino-2-oxo-1(2<em>H</em>)-pyrimidinyl)-1,2,3,4-tetradeoxy-; object_uuid=fo-47754b38447b2666
cas_match_labels None {'2079-00-7': 'exactMatch'} group_key=blasticidin-s||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['chebi', 'pubchem']; cas_sources={'2079-00-7': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-47754b38447b2666: {'2079-00-7': '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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  "general_comment": null,
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  "unit": "kg",
  "lcia_methods": [
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      "characterization_factor": 2066.7
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