Consensus flow list

Phthalocyanine

fo-748cb10ef7247396

Identity

Type
Neutral molecule
CAS
574-93-6
EC
209-378-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Phthalocyanine

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

39

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IEQIEDJGQAUEQZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C32H18N8/c1-2-10-18-17(9-1)25-33-26(18)38-28-21-13-5-6-14-22(21)30(35-28)40-32-24-16-8-7-15-23(24)31(36-32)39-29-20-12-4-3-11-19(20)27(34-29)37-25/h1-16H,(H2,33,34,35,36,37,38,39,40)
IUPAC name chemrof:IUPAC_name 2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13,15,17,19(39),20,22,24,26,28,30(37),31,33,35-nonadecaene
Molecular formula chemrof:molecular_formula C32H18N8
Molecular mass chemrof:molecular_mass 514.552
Monoisotopic mass chemrof:monoisotopic_mass 514.16544, 514.165443
SMILES string chemrof:smiles_string C1=CC=C2C(=C1)C3=NC4=NC(=NC5=C6C=CC=CC6=C(N5)N=C7C8=CC=CC=C8C(=N7)N=C2N3)C9=CC=CC=C94, c1ccc2c(c1)-c1nc-2nc2nc(nc3nc(nc4nc(n1)c1ccccc14)-c1ccccc1-3)c1ccccc21

Known URLs

22

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=27290-25-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=574-93-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:34921 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.527 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9025906 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB12983 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB12983 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL262101 enrich_references.pubchem_identifier_url
gmelin gmelin:100183 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V5PUF4VLGY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0256504 enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.04.05 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.511C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14077 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14077 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55049 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL262101 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/86280045 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=006252 enrich_references.pubchem_identifier_url
reaxys reaxys:378323 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q414162 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Phthalocyanine enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
c50f2832-6307-4346-aef2-2e8fa377cebb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d061c1af-0124-405e-852d-29862e966415 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
9b41cd07-f3ce-474a-bfe8-2a13a6d08156 Environmental → Air → Indoor EF 3.1 kg 4
678b2475-4fcc-4ab0-8dd1-451249e02809 Environmental → Air → Long-term EF 3.1 kg 0
55329fa0-c0d4-409a-a1ab-729bf8a0ac0c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8424964f-cc70-432e-96ff-2d9495469d04 Environmental → Air → Unknown EF 3.1 kg 4
62a236a4-f9e5-4f8d-84d4-7e6814d07157 Environmental → Ground → Agricultural EF 3.1 kg 4
03dfe947-24f9-437a-ae9d-f499ab2ea888 Environmental → Ground → Non-agricultural EF 3.1 kg 4
cdd5c54a-b036-4805-81c3-cdea1d8f755a Environmental → Ground → Unknown EF 3.1 kg 4
db02da8f-d229-4139-a1ef-61251e9c7adb Environmental → Water → Long-term EF 3.1 kg 0
c152a268-908d-4fcd-b521-4d92ff423ee5 Environmental → Water → Ocean EF 3.1 kg 4
3b2765cd-d536-451f-b92c-cdf1484fc911 Environmental → Water → Surface water EF 3.1 kg 4
78d4c948-1246-4972-90df-c985e7c043ea Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-748cb10ef7247396",
  "prefLabel": [
    {
      "@value": "Phthalocyanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "CAS:574-93-6",
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "29h,31h-phthalocyanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "5,28:14,19-Diimino-7,12:26,21-dinitrilotetrabenzo[c,h,m,r][1,6,11,16]tetraazacycloeicosine",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "8120S",
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      }
    },
    {
      "@value": "Blue Pigment B",
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    },
    {
      "@value": "C.I. Pigment Blue 16",
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      "@value": "CG 1-1",
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    {
      "@value": "Fastogen Blue 8120BS",
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      "@value": "Fastogen Blue GS",
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    {
      "@value": "ftalocianina",
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      }
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    {
      "@value": "Heliogen Blue LG",
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      }
    },
    {
      "@value": "Irgalite Blue GLS",
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          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Irgazin Blue 3GT",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lionol Blue KW",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Liophoton",
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        ],
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      }
    },
    {
      "@value": "Liophoton THP",
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        ],
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      }
    },
    {
      "@value": "Liophoton TPA 891",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monastral Fast Blue G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Monolite Fast Blue GS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Photo Fine TPA 891",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phthalocyanin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_34921"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Phthalozyanin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34921"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pigment blue 16",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_34921"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Pigment Blue Green Phthalocyanine U",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Polymon Blue G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Progen I",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "PV-Fast Blue G",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrabenzo[b,g,l,q]porphyrazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrabenzoporphyrazine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=574-93-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tetrabenzotetraazaporphine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
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      "@value": "A tetrapyrrole fundamental parent that consists of four isoindole-type units, with the connecting carbon atoms in the macrocycle replaced by nitrogen.",
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}

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