113342 <common-name>Calcium N-carbamoylaspartate</common-name> <description>Calcium N-carbamoylaspartate belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. It has the chemical formula C5H6CaN2O5 and an average molecular weight of 214.19 g/mol.</description> <cas>16649-79-9</cas> <pubchem-id>20055292</pubchem-id> <chemical-formula>C5H6CaN2O5</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2026-04-05T20:49:47Z</created-at> <updated-at type="dateTime">2026-04-05T20:49:47Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Ca++].NC(=O)N[C@@H](CC([O-])=O)C([O-])=O</moldb-smiles> <moldb-formula>C5H6CaN2O5</moldb-formula> <moldb-inchi>InChI=1S/C5H8N2O5.Ca/c6-5(12)7-2(4(10)11)1-3(8)9;/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12);/q;+2/p-2/t2-;/m0./s1</moldb-inchi> <moldb-inchikey>KGWAITXYALRFDQ-DKWTVANSSA-L</moldb-inchikey> <moldb-average-mass type="decimal">214.19</moldb-average-mass> <moldb-mono-mass type="decimal">213.9902623</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>16736545</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM109235</chemdb-id> <dsstox-id>DTXSID20937203</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00086036</susdat-id> <iupac>Calcium (2S)-2-(carbamoylamino)butanedioate</iupac> <moldb-polar-surface-area nil="true"/> <moldb-refractivity nil="true"/> <moldb-polarizability nil="true"/> <moldb-rotatable-bond-count nil="true"/> <moldb-acceptor-count nil="true"/> <moldb-donor-count nil="true"/> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge nil="true"/> <moldb-number-of-rings nil="true"/> <moldb-alogps-logp nil="true"/> <moldb-alogps-logs nil="true"/> <moldb-alogps-solubility nil="true"/> <kingdom>Organic compounds</kingdom> <superklass>Organic acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer">9</paper-count> <sync-id>CED0036674</sync-id> <structure-inchikey>KGWAITXYALRFDQ-DKWTVANSSA-L</structure-inchikey> <structure-fingerprint>40000000000000000000800000000400000800010000000000000000000000000000000000000000000000000000000000000008000000000040000000040000000000000000000000000000000000000020000000000000001000008000000000004000010000000000000000000000000000000000000000040000000000000000000000000000000000000000000080001000000000000020000000000000002400080000000000000000000000000000100000000000000000000000020000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>20010206000800000000082000000000000005000000240040000000044000004000800000000001000080000004200080008c00010000443000b0000084110400000000004080102000620100000000004000003200000420000009000c200000004002000000100050300000200080100105600411180000001000020044001804400000080002008808000810040012444010000004080000800000004300040008400000000800002c201042c0020000010800100200100000020000000004044000020080020000410080000000000000400000000000080100000000080000000000004000000000200000000010004000200000008050410002</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAANAAAACwAAAIABFCAKAAAAAgEHAGgAAAAD AQIGACgAAAADBAgAKAAAAAMCBwBoAAAAAwIBBiA0AAAAAQEEBgBgAAAAAgIG ACgAAAADBAggKgAAAP8DAQgAKAAAAAMCBgAoAAAAAwQIICoAAAD/AwEIACgA AAADAgsBAiACAygCAgQgBAUABQYABgcABwggBwkoAgUKAAoLIAoMKAJCAAAA ABcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:43:44Z</structure-indexed-at> </compound>