← Back to consensus flows

Diisopropyl Succinate

UUID de63e9fe-0ae2-4bee-9ae1-1ca6b14f3ea9
Deprecated yes
Replaced By 51d8ba95-aa87-438e-ac8b-625e703d0aac
Flow Object IDfo-0bf1a23be540782a
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 924-88-9
EC Numbers 213-110-0
prefLabel
Language Value Provenance
en Diisopropyl Succinate
altLabel
Language Value Provenance
en Butanedioic acid, 1,4-bis(1-methylethyl) ester
en Butanedioic acid, bis(1-methylethyl) ester
en Succinic acid, diisopropyl ester
References
Shared Properties
Predicate Value
InChIKey XXTWZTPVNIYSJZ-UHFFFAOYSA-N, YPLYFEUBZLLLIY-UHFFFAOYSA-N
InChI InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3, InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)
IUPAC name N-[1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide, N-[1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide, N-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide, N-[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide, N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide, butanedioic acid dipropan-2-yl ester, diisopropyl butanedioate, dipropan-2-yl butanedioate, succinic acid diisopropyl ester
Molecular formula C10H18O4, C27H31N5O4S
SMILES C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3, CC(C)OC(=O)CCC(=O)OC(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 de63e9fe-0ae2-4bee-9ae1-1ca6b14f3ea9 diisopropyl succinate

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=diisopropylsuccinate||dimension=Environmental > media=Ground > geography=Unknown; cas=924-88-9; added Common Chemistry CAS names as altLabel: Butanedioic acid, 1,4-bis(1-methylethyl) ester, Butanedioic acid, bis(1-methylethyl) ester, Succinic acid, diisopropyl ester; object_uuid=fo-0bf1a23be540782a
cas_match_labels 1 consensus_match group_key=diisopropylsuccinate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'924-88-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0bf1a23be540782a: {'924-88-9': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
altLabel None [{'@value': 'Butanedioic acid, 1,4-bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:924-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=924-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Butanedioic acid, bis(1-methylethyl) ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:924-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=924-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Succinic acid, diisopropyl ester', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:924-88-9', 'https://commonchemistry.cas.org/detail?cas_rn=924-88-9'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=diisopropylsuccinate||dimension=Environmental > media=Ground > geography=Unknown; cas=924-88-9; added Common Chemistry CAS names as altLabel: Butanedioic acid, 1,4-bis(1-methylethyl) ester, Butanedioic acid, bis(1-methylethyl) ester, Succinic acid, diisopropyl ester; object_uuid=fo-0bf1a23be540782a
cas_match_labels None {'924-88-9': 'exactMatch'} group_key=diisopropylsuccinate||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'924-88-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0bf1a23be540782a: {'924-88-9': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

{
  "uuid": "de63e9fe-0ae2-4bee-9ae1-1ca6b14f3ea9",
  "name": null,
  "cas_numbers": [
    "924-88-9"
  ],
  "ec_numbers": [
    "213-110-0"
  ],
  "context": {
    "dimension": "Environmental",
    "media": "Water",
    "water_body": "Unknown"
  },
  "general_comment": null,
  "synonyms": [],
  "unit": "kg",
  "lcia_methods": [],
  "source": "EF 3.1",
  "identifier": "de63e9fe-0ae2-4bee-9ae1-1ca6b14f3ea9",
  "input_datasets": [
    "EF 3.1"
  ],
  "source_refs": [
    {
      "list_name": "EF",
      "list_version": "3.1",
      "source_flow_uuid": "de63e9fe-0ae2-4bee-9ae1-1ca6b14f3ea9",
      "source_flow_name": "diisopropyl succinate",
      "source_metadata": {
        "input_file": "/home/cmutel/.local/share/consensus-flow-list/ef-31-flows.json",
        "input_dataset": "EF 3.1",
        "original_context": [
          "Emissions",
          "Emissions to water",
          "Emissions to water, unspecified (long-term)"
        ]
      }
    }
  ],
  "prefLabel": [
    {
      "@value": "Diisopropyl Succinate",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "_sources": {
    "prefLabel": "normalize_name_case",
    "name": "bootstrap_labels",
    "synonyms": "bootstrap_labels",
    "context": "default_context_mapping",
    "context_iri": "default_context_mapping",
    "unit_iri": "unit_normalization",
    "properties": "enrich_references",
    "skos:definition": "enrich_references",
    "references": "enrich_references",
    "altLabel": "consensus_match",
    "cas_match_labels": "consensus_match"
  },
  "context_iri": "https://vocab.brightway.one/flow-contexts/envi-wate-unkn",
  "unit_iri": "https://vocab.brightway.one/units/unit/KiloGM",
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H18O4",
        "C27H31N5O4S"
      ],
      "rdfs:label": "Molecular formula",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406",
          "CID:70213"
        ],
        "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
      }
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "XXTWZTPVNIYSJZ-UHFFFAOYSA-N",
        "YPLYFEUBZLLLIY-UHFFFAOYSA-N"
      ],
      "rdfs:label": "InChIKey",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406",
          "CID:70213"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChIKey"
      }
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "@value": [
        "C1CCN(CC1)C(=O)C(CC2=CC=C(C=C2)C(=N)N)NC(=O)CNS(=O)(=O)C3=CC4=CC=CC=C4C=C3",
        "CC(C)OC(=O)CCC(=O)OC(C)C"
      ],
      "rdfs:label": "SMILES",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406",
          "CID:70213"
        ],
        "prov:wasDerivedFrom": "pubchem.props.SMILES"
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "@value": [
        "InChI=1S/C10H18O4/c1-7(2)13-9(11)5-6-10(12)14-8(3)4/h7-8H,5-6H2,1-4H3",
        "InChI=1S/C27H31N5O4S/c28-26(29)21-10-8-19(9-11-21)16-24(27(34)32-14-4-1-5-15-32)31-25(33)18-30-37(35,36)23-13-12-20-6-2-3-7-22(20)17-23/h2-3,6-13,17,24,30H,1,4-5,14-16,18H2,(H3,28,29)(H,31,33)"
      ],
      "rdfs:label": "InChI",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406",
          "CID:70213"
        ],
        "prov:wasDerivedFrom": "pubchem.props.InChI"
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "N-[1-(4-amidinobenzyl)-2-keto-2-piperidino-ethyl]-2-(2-naphthylsulfonylamino)acetamide",
        "N-[1-[(4-carbamimidoylphenyl)methyl]-2-oxo-2-(1-piperidyl)ethyl]-2-(2-naphthylsulfonylamino)acetamide",
        "N-[3-(4-carbamimidoylphenyl)-1-oxidanylidene-1-piperidin-1-yl-propan-2-yl]-2-(naphthalen-2-ylsulfonylamino)ethanamide",
        "N-[3-(4-carbamimidoylphenyl)-1-oxo-1-(1-piperidinyl)propan-2-yl]-2-(2-naphthalenylsulfonylamino)acetamide",
        "N-[3-(4-carbamimidoylphenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-(naphthalen-2-ylsulfonylamino)acetamide",
        "butanedioic acid dipropan-2-yl ester",
        "diisopropyl butanedioate",
        "dipropan-2-yl butanedioate",
        "succinic acid diisopropyl ester"
      ],
      "rdfs:label": "IUPAC name",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406",
          "CID:70213"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers.IUPAC Name"
      }
    }
  },
  "skos:definition": [],
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.189.754A",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J136.529K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://chem.echa.europa.eu/100.011.919",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=924-88-9",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.consensus_cas_link",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "924-88-9"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID701006618",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID9044740",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/99B062LA62",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://hmdb.ca/metabolites/HMDB0247902",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://pharos.nih.gov/ligands/N6NTJQKBNZ4H",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/4406",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[924-88-9]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/70213",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[924-88-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL23430",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3187741",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q63396338",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:70213;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q83002376",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:4406;CAS:924-88-9"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[924-88-9]"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Butanedioic acid, 1,4-bis(1-methylethyl) ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:924-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=924-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Butanedioic acid, bis(1-methylethyl) ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:924-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=924-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Succinic acid, diisopropyl ester",
      "@language": "en",
      "source": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:924-88-9",
          "https://commonchemistry.cas.org/detail?cas_rn=924-88-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "cas_match_labels": {
    "924-88-9": "exactMatch"
  },
  "http://www.w3.org/2002/07/owl#deprecated": true,
  "http://purl.org/dc/terms/isReplacedBy": "urn:uuid:51d8ba95-aa87-438e-ac8b-625e703d0aac",
  "is_replaced_by_uuid": "51d8ba95-aa87-438e-ac8b-625e703d0aac",
  "flow_object_id": "fo-0bf1a23be540782a"
}