Consensus flow list

Bilanafos

fo-36a873d2c655b814

Identity

Type
Neutral molecule
CAS
35597-43-4
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Bilanafos

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

Alternative labels

17

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string GINJFDRNADDBIN-FXQIFTODSA-N, VGEZOZJJXPKDEJ-WPZUCAASSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H22N3O6P/c1-6(9(16)14-7(2)11(18)19)13-10(17)8(12)3-4-21(20)5-15/h6-8,15,21H,3-5,12H2,1-2H3,(H,13,17)(H,14,16)(H,18,19)/t6-,7-,8?/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string C[C@H](NC(=O)[C@H](C)NC(=O)C(N)CC[PH](=O)CO)C(=O)O
IUPAC name chemrof:IUPAC_name (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine
Molecular formula chemrof:molecular_formula C11H22N3O6P
SMILES string chemrof:smiles_string CC(NC(=O)C(C)NC(=O)C(N)CC[PH](=O)CO)C(=O)O

Known URLs

19

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
bpdb bpdb:1169 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=35597-43-4 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:3088 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.113.731 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5058066 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/7488PCM6I2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J17.889F enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06457 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06457 enrich_references.pubchem_identifier_url
knapsack knapsack:C00000782 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=70656 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-10013 enrich_references.chebi_xrefs
pesticides pesticides:bilanafos enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/5462314 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/17632514 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21530973 enrich_references.chebi_xrefs
reaxys reaxys:6155318 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q855280 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Bialaphos enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5eee1023-ee64-4c1c-a372-f5e013079bb1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
eb42cb81-34c7-4dcc-9aae-07837324ac70 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
750a2bee-2e9d-41c3-8db5-4a20a52f6a91 Environmental → Air → Indoor EF 3.1 kg 2
7ba7f1e5-31d2-4813-aa50-d1082de06462 Environmental → Air → Long-term EF 3.1 kg 0
c123ebc9-59b5-4b3a-9736-68eab22a443a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
cb89e94a-6807-4efc-86a8-92d0bc22e7f1 Environmental → Air → Unknown EF 3.1 kg 2
0b28dfaa-026b-48fe-b90a-f3d64ea1f82a Environmental → Ground → Agricultural EF 3.1 kg 2
d10116e0-4bb2-4d12-97a1-f54318d62f6f Environmental → Ground → Non-agricultural EF 3.1 kg 2
dbef2b7c-a01d-48ae-96ce-a95c72b7b5eb Environmental → Ground → Unknown EF 3.1 kg 2
bbf1a6b9-82a0-4804-84e7-cf5963dd849d Environmental → Water → Long-term EF 3.1 kg 0
770fe099-bd28-484d-ac3b-34d2b44c611a Environmental → Water → Ocean EF 3.1 kg 2
c3dda931-b36f-4f48-97a4-64c775a48eb3 Environmental → Water → Surface water EF 3.1 kg 2
8175f549-fab5-442e-b010-ea455b690e98 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-36a873d2c655b814",
  "prefLabel": [
    {
      "@value": "Bilanafos",
      "@language": "en",
      "@lang": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-L-alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_3088"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "(2S)-2-amino-4-[hydroxy(methyl)phosphinoyl]butyryl-L-alanyl-L-alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Amino-4-(methylphosphino)butyrylalanylalanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Antibiotic SF 1293",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bialaphos",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Bilanaphos",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "gamma-(Hydroxymethylphosphinyl)-L-alpha-aminobutyryl-L-alanyl-L-alanine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "Herby",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "L-Alanine, (2S)-2-amino-4-(hydroxymethylphosphinyl)butanoyl-L-alanyl-",
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      "@lang": "en",
      "provenance": {
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      "@value": "L-Alanine, 4-(hydroxymethylphosphinyl)-L-2-aminobutanoyl-L-alanyl-",
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      }
    },
    {
      "@value": "L-phosphinothricyl-L-alanyl-L-alanine",
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    },
    {
      "@value": "N-{(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl}-L-alanyl-L-alanine",
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    },
    {
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  "properties": {
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  "references": [
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