Consensus flow list

L-tryptophan

fo-548b7d04dc2a9444

Identity

Type
NeutralMolecule
CAS
73-22-3
EC
200-795-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for L-tryptophan

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

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string QIVBCDIJIAJPQS-VIFPVBQESA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
IUPAC name chemrof:IUPAC_name L-tryptophan
Molecular formula chemrof:molecular_formula C11H12N2O2
Molecular mass chemrof:molecular_mass 204.229
Monoisotopic mass chemrof:monoisotopic_mass 204.089878, 204.08988
SMILES string chemrof:smiles_string NC(Cc1c[nH]c2ccccc12)C(=O)O

Known URLs

64

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=27813-82-7 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=73-22-3 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16828 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.723 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5021419 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB00150 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB00150 enrich_references.pubchem_identifier_url
drugcentral drugcentral:2780 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/2780 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=757373 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL54976 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB00929 enrich_references.chebi_xrefs
gmelin gmelin:51434 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/8DUH1N11BX enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0000929 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.181B enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C00078 enrich_references.chebi_xrefs
KEGG https://www.genome.jp/entry/D00020 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C00078 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D00020 enrich_references.pubchem_identifier_url
knapsack knapsack:C00001396 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=37505 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=TRP enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29603 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TRP enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA10323 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/W3Y9GL179TT8 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL54976 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6305 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=011920 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/11395471 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11750787 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11888576 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12766158 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12830226 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12871129 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15206750 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16740930 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16934873 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17127472 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17177562 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17430113 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17585690 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17690425 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17826001 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18234569 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18419734 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/18949702 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19896323 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21856896 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22071091 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22162421 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22299628 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22386992 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22402312 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22415302 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/22415306 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/2917974 enrich_references.chebi_xrefs
reaxys reaxys:86197 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/10898 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q106345470 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q181003 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tryptophan enrich_references.chebi_xrefs
ymdb ymdb:YMDB00126 enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
82822bd3-6636-413c-a5f4-e83125346fdb Environmental → Air → Aircraft cruise height EF 3.1 kg 4
11330733-0006-4242-aa7a-7459740bc38b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
d79d609e-aeec-4370-b0e9-31815d15c280 Environmental → Air → Indoor EF 3.1 kg 4
30acd775-7224-4cee-a917-8b586352fca6 Environmental → Air → Long-term EF 3.1 kg 0
43090158-f222-457a-bf6b-9babb3796f55 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
fbefff8f-bfe0-4ec7-b2e5-83fe065a355f Environmental → Air → Unknown EF 3.1 kg 4
19516d7d-3aa8-46e0-ba69-cfd8f916fe06 Environmental → Ground → Agricultural EF 3.1 kg 4
0091ed68-28e7-4301-be36-1f40f35721a7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
59e5a82a-cae4-41c9-acec-17d3ed22cfd5 Environmental → Ground → Unknown EF 3.1 kg 4
1deefaf9-ce3b-4a8d-a179-05b128538b4d Environmental → Water → Long-term EF 3.1 kg 0
2e6cb363-68fa-4c2d-a8b8-283b021b0703 Environmental → Water → Ocean EF 3.1 kg 4
90ab75c2-2243-4aa7-a564-4b5c443ab640 Environmental → Water → Surface water EF 3.1 kg 4
7393ecac-b846-4e3f-bc28-4d8041d75061 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-548b7d04dc2a9444",
  "prefLabel": [
    {
      "@value": "L-tryptophan",
      "@language": "en",
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  ],
  "altLabel": [
    {
      "@value": "(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2S)-2-Azaniumyl-3-(1H-indol-3-yl)propanoate",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(S)-2-Amino-3-(1H-indol-3-yl)propanoic acid",
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      }
    },
    {
      "@value": "(S)-alpha-amino-1H-indole-3-propanoic acid",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(S)-alpha-Amino-beta-(3-indolyl)-propionic acid",
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      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "(S)-tryptophan",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "(S)-α-Amino-1H-indole-3-propanoic acid",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "(S)-α-Amino-β-indolepropionic acid",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(S)-α-Aminoindole-3-propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Indole-3-alanine, (S)-",
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      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1H-Indole-3-propanoic acid, α-amino-, (S)-",
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      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-3-indolylpropanoic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Indol-3-ylalanine",
      "@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=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-(-)-tryptophan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-Alanine, 3-(1H-indol-3-yl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73-22-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-beta-3-indolylalanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "L-Tryptophane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73-22-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "l-α-Aminoindole-3-propionic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73-22-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "l-β-3-Indolylalanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73-22-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Lyphan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73-22-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D014364",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:73-22-3",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Tryptophan, L-",
      "@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=73-22-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C11H12N2O2"
      ],
      "attested_by": {
        "C11H12N2O2": [
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          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
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          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
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          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "NC(Cc1c[nH]c2ccccc12)C(=O)O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "L-tryptophan"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O"
          ]
        },
        {
          "prov:wasGeneratedBy": "semantic_typing.classify",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "smiles_string.stereochemistry_removed"
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      ],
      "attested_by": {
        "N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O": [
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      }
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