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Biological Magnetic Resonance Data BankA Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules |
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Formate
Formate synonyms
Formisoton; Bilorin; Acido formico [Italian]; Add-F; Ameisensaeure [German]; Spirit of formic acid; Acide formique [French]; Methanoic acid; Formylic acid; Formic acid (natural); C1 acid
Molecular Formula: C H2 O2
Natural Isotopic Abundance Mass: 46.0253800000
Mono-Isotopic Molecular Masses:
- C12N14: 46.0054793084
- C13N14: 47.0088341462
- C12N15: 46.0054793084
- C13N15: 47.0088341462
InChI String: InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
isomeric and canonical SMILES: C(=O)O
IUPAC: IUPAC traditional: IUPAC cas: IUPAC openeye
formic acid
IUPAC systematic
methanoic acid
PubChem Compound (CID): 284
KEGG: Compound ID C00058
CAS Registry IDs: 141-53-7 15843-02-4 15907-03-6 27115-36-2 3349-06-2 3495-35-0 3495-36-1 4464-23-7 540-69-2 544-17-2 544-18-3 544-19-4 556-63-8 557-39-1 557-41-5 590-29-4 592-89-2 63182-21-8 64-18-6 68134-59-8 68310-83-8 70179-79-2 7056-83-9 7360-53-4 8006-93-7 811-54-1
PDB Chemical Component FMT
Miscellaneous Databases and IDs: CHEBI 30751 FEMA No. 2487 HSDB 1646 EINECS 200-579-1 CCRIS 6039
Reference data were obtained primarily from the PubChem database.
Three dimensional molecular rendering uses Jmol.
Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773