creatinine
PubChem CID: 588
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| Compound Synonyms | creatinine, 60-27-5, AYI8EX34EU, 2-Imino-1-methylimidazolidin-4-one, 1-Methylglycocyamidine, 1-Methylhydantoin-2-imide, Kreatinin, Creatinine,heated, Kreatininum, 2-amino-1-methyl-1,5-dihydro-4H-imidazol-4-one, 2-amino-3-methyl-4H-imidazol-5-one, creatinina, 2-Imino-N-methylhydantoin, NSC-13123, 2-Amino-1-methyl-2-imidazolin-4-one, CHEBI:16737, AI3-15321, NSC13123, 2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one, CREATININE (II), CREATININE [II], IMIDAZOLIDIN-4-ONE, 2-IMINO-1-METHYL, CREATININE (MART.), CREATININE [MART.], CREATININE (USP-RS), Creatinine (VAN) (8CI), CREATININE [USP-RS], 4H-Imidazol-4-one, 2-imino-1,5-dihydro-1-methyl-, 62708-52-5, Creatinine, anhydrous, Spectrum_000429, CREATININE [MI], Spectrum2_000764, Spectrum3_001717, Spectrum4_001806, Spectrum5_000511, bmse000155, bmse000789, bmse001001, CREATININE [WHO-DD], 2-amino-3-methyl-4H-imidazol-5-one,dichlorozinc, SCHEMBL16295, BSPBio_003334, KBioGR_002415, KBioSS_000909, MLS001306430, CHEMBL65567, DivK1c_000351, SPECTRUM1600300, SPBio_000808, Creatinine, anhydrous, >=98%, HMS501B13, KBio1_000351, KBio2_000909, KBio2_003477, KBio2_006045, KBio3_002554, NINDS_000351, Creatinine, 98.5-102.0%, HMS2233P20, HMS3372L11, Pharmakon1600-01600300, CCG-40153, MSK001352, NSC760435, s3102, STK530885, STL268897, 2-Imino-1-methyl-imidazolidin-4-one, AKOS000121140, AKOS005458367, 2-Imino-1-methyl-4-imidazolidinone #, Creatinine, NIST(R) SRM(R) 914a, NSC-760435, SDCCGMLS-0066864.P001, IDI1_000351, NCGC00095762-02, NCGC00247664-01, 4H-Imidazol-4-one,5-dihydro-1-methyl-, AS-12671, SMR000718791, 1ST001352, 2-amino-1-methyl-1,5-dihydro-imidazol-4-one, C00791, D03600, AB00052404_03, AB00052404_04, 2-amino-4,5-dihydro-1-methyl-1H-imidazol-4-one, 2-Imino-1,5-dihydro-1-methyl-4H-imidazol-4-one, AO-840/40806907, SR-01000837526, SR-01000837526-3, BRD-K13495773-001-11-4, BRD-K13495773-001-12-2, F0001-1578, C5CF605C-9352-48F2-A5A4-561B97D42C30, Creatinine, United States Pharmacopeia (USP) Reference Standard, Creatinine, Pharmaceutical Secondary Standard, Certified Reference Material, InChI=1/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8, 2-Amino-1-methyl-2-imidazolin-4-one, 2-Imino-1-methylimidazolidin-4-one, 2-Imino-N-methylhydantoin, 200-466-7 |
|---|---|
| Topological Polar Surface Area | 58.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 151.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O15245, Q03164, Q9UNA4, P39748, Q7Z2H8, O75496, Q9Y6L6, Q9NPD5, O95398, n.a., P0DTD1 |
| Iupac Name | 2-amino-3-methyl-4H-imidazol-5-one |
| Prediction Hob | 1.0 |
| Class | Carboxylic acids and derivatives |
| Target Id | NPT1038, NPT1006 |
| Xlogp | -1.8 |
| Superclass | Organic acids and derivatives |
| Subclass | Amino acids, peptides, and analogues |
| Molecular Formula | C4H7N3O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DDRJAANPRJIHGJ-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.87 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | -1.368 |
| Synonyms | 1-Methylglycocyamidine, 1-Methylhydantoin-2-imide, 2-Amino-1,5-dihydro-1-methyl-4H-imidazol-4-one, 2-Amino-1-methylimidazolin-4-one, Creatine anhydride, Creatinina, Kreatinin, 2-Amino-1-methyl-1,5-dihydroimidazol-4-one, Krebiozen, Sulfate salt, creatinine, Creatinine sulfate salt, Salt, creatinine sulfate |
| Compound Name | creatinine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 113.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 113.059 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 113.12 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Esol | -0.25784399999999996 |
| Inchi | InChI=1S/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8) |
| Smiles | CN1CC(=O)N=C1N |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Alpha amino acids and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Agaricus Campestris (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Allium Cepa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Avena Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Beta Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Brassica Rapa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Cucumis Sativus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Cucurbita Maxima (Plant) Rel Props:Source_db:npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Daucus Carota (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Hordeum Vulgare (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Pastinaca Sativa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Phaseolus Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Prunus Tomentosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Rubus Idaeus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Secale Cereale (Plant) Rel Props:Source_db:npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 20. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 21. Outgoing r'ship
FOUND_INto/from Spinacia Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all