Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

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Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

UUID 9fde5759-6852-40fd-8fa1-e313150df6b2

Flow Object ID fo-0d694c5183ef8324

Source EF 3.1

Context Environmental → Water → Surface water

CAS Numbers 1458-18-0

EC Numbers 215-947-7

prefLabel

Language	Value	Provenance
`en`	`Methyl 3-amino-5,6-dichloropyrazine-2-carboxylate`

altLabel ⓘ

Language	Value	Provenance
`en`	`2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester`
`en`	`3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester`
`en`	`Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester`

References

Shared Properties

Predicate	Value
InChIKey	`USYMCUGEGUFUBI-UHFFFAOYSA-N, WLMCGHNETVRYRY-STQMWFEESA-N`
InChI	`InChI=1S/C17H34N6O5S/c18-6-1-2-7-21-8-3-9-22-10-15(25)23(16(26)13(20)11-29)14(24)5-4-12(19)17(27)28/h12-13,21-22,29H,1-11,18-20H2,(H,27,28)/t12-,13-/m0/s1, InChI=1S/C6H5Cl2N3O2/c1-13-6(12)2-5(9)11-4(8)3(7)10-2/h1H3,(H2,9,11)`
IUPAC name	(2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]-1-oxoethyl]-[(2R)-2-amino-3-mercapto-1-oxopropyl]amino]-5-oxopentanoic acid, (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]acetyl]-[(2R)-2-amino-3-mercapto-propanoyl]amino]-5-keto-valeric acid, (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]acetyl]-[(2R)-2-amino-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoic acid, (2S)-2-amino-5-[[2-[3-(4-aminobutylamino)propylamino]acetyl]-[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid, (2S)-2-azanyl-5-[2-[3-(4-azanylbutylamino)propylamino]ethanoyl-[(2R)-2-azanyl-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid, 3-amino-5,6-dichloro-2-pyrazinecarboxylic acid methyl ester, 3-amino-5,6-dichloro-pyrazinic acid methyl ester, methyl 3-amino-5,6-dichloro-pyrazine-2-carboxylate, methyl 3-amino-5,6-dichloropyrazine-2-carboxylate, methyl 3-azanyl-5,6-bis(chloranyl)pyrazine-2-carboxylate
Molecular formula	`C17H34N6O5S, C6H5Cl2N3O2`
SMILES	`C(CCNCCCNCC(=O)N(C(=O)CCC(C(=O)O)N)C(=O)C(CS)N)CN, C(CCNCCCNCC(=O)N(C(=O)CC[C@@H](C(=O)O)N)C(=O)[C@H](CS)N)CN, COC(=O)C1=C(N=C(C(=N1)Cl)Cl)N`

Source List References

List	Version	Source Flow UUID	Source Flow Name
EF	3.1	`9fde5759-6852-40fd-8fa1-e313150df6b2`	methyl 3-amino-5,6-dichloropyrazine-2-carboxylate

Concept Associations

Source List	Source Flow	Source Context	Unit	Match Type	Conversion	Provenance
EF 3.1	methyl 3-amino-5,6-dichloropyrazine-2-carboxylate	Emissions/Emissions to water/Emissions to fresh water	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=methyl3-amino-5,6-dichloropyrazine-2-carboxylate\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=1458-18-0; added Common Chemistry CAS names as altLabel: 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester, 3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester, Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester; object_uuid=fo-0d694c5183ef8324
`cas_match_labels`	1	`—`	consensus_match	group_key=methyl3-amino-5,6-dichloropyrazine-2-carboxylate\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1458-18-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0d694c5183ef8324: {'1458-18-0': 'exactMatch'}

Context Attributes

Attribute	Value
dimension	Environmental
media	Water
water_body	Surface water

Consensus Changes

Field	Old Value	New Value	Comment
`altLabel`	`None`	[{'@value': '2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1458-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=1458-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1458-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=1458-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:1458-18-0', 'https://commonchemistry.cas.org/detail?cas_rn=1458-18-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}]	group_key=methyl3-amino-5,6-dichloropyrazine-2-carboxylate\|\|dimension=Environmental > media=Ground > geography=Agricultural; cas=1458-18-0; added Common Chemistry CAS names as altLabel: 2-Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester, 3-Amino-5,6-dichloropyrazine-2-carboxylic acid methyl ester, Pyrazinecarboxylic acid, 3-amino-5,6-dichloro-, methyl ester; object_uuid=fo-0d694c5183ef8324
`cas_match_labels`	`None`	`{'1458-18-0': 'exactMatch'}`	group_key=methyl3-amino-5,6-dichloropyrazine-2-carboxylate\|\|dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'1458-18-0': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0d694c5183ef8324: {'1458-18-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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      "characterization_factor": 288050.0
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