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Enum: ChemicalEntityEnum

URI: ChemicalEntityEnum

Permissible Values

Value Meaning Description
acetonitrile CHEBI:38472
acetic_acid CHEBI:15366
acetone CHEBI:15347
alphaLP EC:3.4.21.12
ammonium_acetate CHEBI:62947
ammonium_bicarbonate CHEBI:184335
ammonium_formate CHEBI:63050
amitriptyline CHEBI:2666
Arg-C MS:1001303
Asp-N MS:1001304
chloroform CHEBI:35255
chymotrypsin MS:1001306
disodium_hydrogenphosphate_dihydrate CHEBI:91258
ethanol CHEBI:16236
formic_acid CHEBI:30751
glucose CHEBI:17234
Glu-C MS:1001917
hydrochloric_acid CHEBI:17883
isopropyl_alcohol CHEBI:17824
Lys-C MS:1001309
Lys-N MS:1003093
N-methyl-N-trimethylsilyltrifluoroacetamide CHEBI:85064
methanol CHEBI:17790
methoxyamine CHEBI:192842
medronic_acid CHEBI:43945
potassium_chloride CHEBI:32588
potassium_dihydrogen_phosphate CHEBI:63036
phosphoric_acid CHEBI:26078
sodium_chloride CHEBI:26710
trichloroacetic_acid CHEBI:30956
trimethylchlorosilane CHEBI:85069
trypsin MS:1001251
water CHEBI:15377
acridine CHEBI:36420
alginic_acid CHEBI:17548
aspartic_acid CHEBI:22660
atrazine CHEBI:15930
benz[a]anthracene CHEBI:51348
benzene CHEBI:16716
benzo[a]pyrene CHEBI:29865
benzoic_acid CHEBI:30746
17beta-estradiol CHEBI:16469
biphenyl CHEBI:17097
bisphenol_A CHEBI:33216
bisphenol_S CHEBI:34372
butane CHEBI:37808
butyric_acid CHEBI:30772
carbon_dioxide CHEBI:16526
carbon_monoxide CHEBI:17245
cellobiose CHEBI:17057
chloromethane CHEBI:36014
ciprofloxacin CHEBI:100241
dibenzothiophene CHEBI:23681
dibutyl_phthalate CHEBI:34687
2,4-dichlorophenol CHEBI:16738
dimethylsulfoniopropionate CHEBI:16457
dinitrogen CHEBI:17997
1,4-dioxane CHEBI:47032
dodecane CHEBI:28817
ethyl_tert-butyl_ether CHEBI:141564
fluoranthene CHEBI:33083
glucosamine CHEBI:5417
glycerol CHEBI:17754
glycine CHEBI:15428
hexadecane CHEBI:45296
isoprene CHEBI:35194
lactic_acid CHEBI:78320
linuron CHEBI:6482
methane CHEBI:16183
methionine CHEBI:16811
methylamine CHEBI:16830
2-methylnaphthalene CHEBI:50720
naphthalene CHEBI:16482
4-nitrophenol CHEBI:16836
phenanthrene CHEBI:28851
propionic_acid CHEBI:30768
pyrene CHEBI:39106
sodium_bicarbonate CHEBI:32139
sodium_carbonate CHEBI:29377
sulfadiazine CHEBI:9328
sulfamethazine CHEBI:102265
sulfamethoxazole CHEBI:9332
6-sulfo-D-quinovose CHEBI:77198
sulfolane CHEBI:74794
taurine CHEBI:15891
toluene CHEBI:17578
3,5,6-trichloro-2-pyridinol CHEBI:143794
triclosan CHEBI:164200
trimethylamine CHEBI:18139
urea CHEBI:16199
vanillin CHEBI:18346
veratric_acid CHEBI:296881
vinyl_chloride CHEBI:28509
xylose CHEBI:18222

Slots

Name Description
isotopolog Isotopolog (isotope source/substrate/molecule) added to the biological sample.
known_as The substance from which a portion was taken.

Identifier and Mapping Information

Schema Source

LinkML Source

name: ChemicalEntityEnum
from_schema: https://w3id.org/nmdc/nmdc
rank: 1000
permissible_values:
  acetonitrile:
    text: acetonitrile
    meaning: CHEBI:38472
  acetic_acid:
    text: acetic_acid
    meaning: CHEBI:15366
    structured_aliases:
    - literal_form: acetate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:30089
    related_mappings:
    - CHEBI:30089
  acetone:
    text: acetone
    meaning: CHEBI:15347
  alphaLP:
    text: alphaLP
    meaning: EC:3.4.21.12
    comments:
    - A serine protease that hydrolyzes peptide bonds at the C-terminus of threonine,
      alanine, serine, and valine.
    see_also:
    - https://commonchemistry.cas.org/detail?cas_rn=37288-76-9&title=
  ammonium_acetate:
    text: ammonium_acetate
    meaning: CHEBI:62947
  ammonium_bicarbonate:
    text: ammonium_bicarbonate
    meaning: CHEBI:184335
  ammonium_formate:
    text: ammonium_formate
    meaning: CHEBI:63050
  amitriptyline:
    text: amitriptyline
    meaning: CHEBI:2666
  Arg-C:
    text: Arg-C
    meaning: MS:1001303
    comments:
    - A cysteine protease that hydrolyzes peptide, ester, and amide bonds at the C-terminus
      of arginine and with lower efficiency, lysine.
  Asp-N:
    text: Asp-N
    meaning: MS:1001304
    comments:
    - A zinc metalloendopeptidase that hydrolyzes peptide bonds at the N-terminus
      of aspartic acid.
  chloroform:
    text: chloroform
    meaning: CHEBI:35255
  chymotrypsin:
    text: chymotrypsin
    meaning: MS:1001306
    comments:
    - A serine protease that hydrolyzes peptide bonds at the C-terminus of tryptophan,
      leucine, tyrosine, and phenylalanine.
  disodium_hydrogenphosphate_dihydrate:
    text: disodium_hydrogenphosphate_dihydrate
    meaning: CHEBI:91258
  ethanol:
    text: ethanol
    meaning: CHEBI:16236
  formic_acid:
    text: formic_acid
    meaning: CHEBI:30751
    comments:
    - A carboxylic acid that is the simplest aliphatic carboxylic acid, comprising
      a hydrogen atom joined to the methyl group of methanol.
    structured_aliases:
    - literal_form: formate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:15740
    related_mappings:
    - CHEBI:15740
  glucose:
    text: glucose
    meaning: CHEBI:17234
    comments:
    - Generally considered the most abundant monosaccharide in nature.
  Glu-C:
    text: Glu-C
    meaning: MS:1001917
    comments:
    - A serine protease that hydrolyzes peptide and ester bonds at the C-terminus
      of aspartic acid or glutamic acid.
  hydrochloric_acid:
    text: hydrochloric_acid
    meaning: CHEBI:17883
  isopropyl_alcohol:
    text: isopropyl_alcohol
    meaning: CHEBI:17824
  Lys-C:
    text: Lys-C
    meaning: MS:1001309
    comments:
    - A serine protease that hydrolyzes peptide, ester, and amide bonds at the C-terminus
      of lysine.
  Lys-N:
    text: Lys-N
    meaning: MS:1003093
    comments:
    - A metalloendopeptidase that hydrolyzes peptide bonds at the C-terminus of lysine.
  N-methyl-N-trimethylsilyltrifluoroacetamide:
    text: N-methyl-N-trimethylsilyltrifluoroacetamide
    meaning: CHEBI:85064
  methanol:
    text: methanol
    meaning: CHEBI:17790
  methoxyamine:
    text: methoxyamine
    meaning: CHEBI:192842
  medronic_acid:
    text: medronic_acid
    meaning: CHEBI:43945
    comments:
    - A 1,1-bis(phosphonic acid) consisting of methane substituted by two phosphonic
      acid groups, also known as methylenediphosphonic acid
  potassium_chloride:
    text: potassium_chloride
    meaning: CHEBI:32588
  potassium_dihydrogen_phosphate:
    text: potassium_dihydrogen_phosphate
    meaning: CHEBI:63036
  phosphoric_acid:
    text: phosphoric_acid
    meaning: CHEBI:26078
  sodium_chloride:
    text: sodium_chloride
    meaning: CHEBI:26710
  trichloroacetic_acid:
    text: trichloroacetic_acid
    meaning: CHEBI:30956
  trimethylchlorosilane:
    text: trimethylchlorosilane
    meaning: CHEBI:85069
  trypsin:
    text: trypsin
    meaning: MS:1001251
    comments:
    - A serine protease that hydrolyzes peptide bonds at the C-terminus of arginine
      and lysine.
  water:
    text: water
    meaning: CHEBI:15377
    comments:
    - Any form of water used in an experiment including deionized water, distilled
      water, and ultrapure water. Protocol or materials and methods should be consulted
      for exact type of water used in an experiment.
  acridine:
    text: acridine
    meaning: CHEBI:36420
  alginic_acid:
    text: alginic_acid
    meaning: CHEBI:17548
    structured_aliases:
    - literal_form: alginate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:58187
    related_mappings:
    - CHEBI:58187
  aspartic_acid:
    text: aspartic_acid
    meaning: CHEBI:22660
    structured_aliases:
    - literal_form: aspartate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:132943
    related_mappings:
    - CHEBI:132943
  atrazine:
    text: atrazine
    meaning: CHEBI:15930
  benz[a]anthracene:
    text: benz[a]anthracene
    meaning: CHEBI:51348
    aliases:
    - tetraphene
  benzene:
    text: benzene
    meaning: CHEBI:16716
  benzo[a]pyrene:
    text: benzo[a]pyrene
    meaning: CHEBI:29865
  benzoic_acid:
    text: benzoic_acid
    meaning: CHEBI:30746
    structured_aliases:
    - literal_form: benzoate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:16150
    related_mappings:
    - CHEBI:16150
  17beta-estradiol:
    text: 17beta-estradiol
    meaning: CHEBI:16469
  biphenyl:
    text: biphenyl
    meaning: CHEBI:17097
  bisphenol_A:
    text: bisphenol_A
    meaning: CHEBI:33216
  bisphenol_S:
    text: bisphenol_S
    meaning: CHEBI:34372
    aliases:
    - 4,4'-sulfonyldiphenol
  butane:
    text: butane
    meaning: CHEBI:37808
  butyric_acid:
    text: butyric_acid
    meaning: CHEBI:30772
    structured_aliases:
    - literal_form: butyrate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:17968
    related_mappings:
    - CHEBI:17968
  carbon_dioxide:
    text: carbon_dioxide
    meaning: CHEBI:16526
  carbon_monoxide:
    text: carbon_monoxide
    meaning: CHEBI:17245
  cellobiose:
    text: cellobiose
    meaning: CHEBI:17057
  chloromethane:
    text: chloromethane
    meaning: CHEBI:36014
  ciprofloxacin:
    text: ciprofloxacin
    meaning: CHEBI:100241
  dibenzothiophene:
    text: dibenzothiophene
    meaning: CHEBI:23681
  dibutyl_phthalate:
    text: dibutyl_phthalate
    meaning: CHEBI:34687
  2,4-dichlorophenol:
    text: 2,4-dichlorophenol
    meaning: CHEBI:16738
  dimethylsulfoniopropionate:
    text: dimethylsulfoniopropionate
    meaning: CHEBI:16457
    aliases:
    - DMSP
    - S,S-dimethyl-beta-propiothetin
  dinitrogen:
    text: dinitrogen
    meaning: CHEBI:17997
    aliases:
    - N2
  1,4-dioxane:
    text: 1,4-dioxane
    meaning: CHEBI:47032
  dodecane:
    text: dodecane
    meaning: CHEBI:28817
  ethyl_tert-butyl_ether:
    text: ethyl_tert-butyl_ether
    meaning: CHEBI:141564
    aliases:
    - ETBE
  fluoranthene:
    text: fluoranthene
    meaning: CHEBI:33083
  glucosamine:
    text: glucosamine
    meaning: CHEBI:5417
  glycerol:
    text: glycerol
    meaning: CHEBI:17754
  glycine:
    text: glycine
    meaning: CHEBI:15428
  hexadecane:
    text: hexadecane
    meaning: CHEBI:45296
  isoprene:
    text: isoprene
    meaning: CHEBI:35194
  lactic_acid:
    text: lactic_acid
    meaning: CHEBI:78320
    structured_aliases:
    - literal_form: lactate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:24996
    related_mappings:
    - CHEBI:24996
  linuron:
    text: linuron
    meaning: CHEBI:6482
  methane:
    text: methane
    meaning: CHEBI:16183
  methionine:
    text: methionine
    meaning: CHEBI:16811
  methylamine:
    text: methylamine
    meaning: CHEBI:16830
    aliases:
    - monomethylamine
  2-methylnaphthalene:
    text: 2-methylnaphthalene
    meaning: CHEBI:50720
  naphthalene:
    text: naphthalene
    meaning: CHEBI:16482
  4-nitrophenol:
    text: 4-nitrophenol
    meaning: CHEBI:16836
    aliases:
    - p-nitrophenol
  phenanthrene:
    text: phenanthrene
    meaning: CHEBI:28851
  propionic_acid:
    text: propionic_acid
    meaning: CHEBI:30768
    structured_aliases:
    - literal_form: propionate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:17272
    related_mappings:
    - CHEBI:17272
  pyrene:
    text: pyrene
    meaning: CHEBI:39106
  sodium_bicarbonate:
    text: sodium_bicarbonate
    meaning: CHEBI:32139
    aliases:
    - sodium hydrogencarbonate
    structured_aliases:
    - literal_form: bicarbonate
      predicate: RELATED_SYNONYM
      source: https://www.ebi.ac.uk/chebi/CHEBI:17544
    related_mappings:
    - CHEBI:17544
  sodium_carbonate:
    text: sodium_carbonate
    meaning: CHEBI:29377
  sulfadiazine:
    text: sulfadiazine
    meaning: CHEBI:9328
  sulfamethazine:
    text: sulfamethazine
    meaning: CHEBI:102265
  sulfamethoxazole:
    text: sulfamethoxazole
    meaning: CHEBI:9332
  6-sulfo-D-quinovose:
    text: 6-sulfo-D-quinovose
    meaning: CHEBI:77198
    aliases:
    - sulfoquinovose
  sulfolane:
    text: sulfolane
    meaning: CHEBI:74794
  taurine:
    text: taurine
    meaning: CHEBI:15891
  toluene:
    text: toluene
    meaning: CHEBI:17578
  3,5,6-trichloro-2-pyridinol:
    text: 3,5,6-trichloro-2-pyridinol
    meaning: CHEBI:143794
  triclosan:
    text: triclosan
    meaning: CHEBI:164200
  trimethylamine:
    text: trimethylamine
    meaning: CHEBI:18139
  urea:
    text: urea
    meaning: CHEBI:16199
  vanillin:
    text: vanillin
    meaning: CHEBI:18346
  veratric_acid:
    text: veratric_acid
    meaning: CHEBI:296881
    aliases:
    - 3,4-dimethoxybenzoic acid
  vinyl_chloride:
    text: vinyl_chloride
    meaning: CHEBI:28509
    aliases:
    - chloroethene
  xylose:
    text: xylose
    meaning: CHEBI:18222