36250 <common-name>Methylmalonyl-CoA</common-name> <description>Methylmalonyl-CoA belongs to the fatty acyl thioesters, a subclass of fatty acyls within the organic compounds. It has the chemical formula C25H40N7O19P3S. With an average molecular weight of 867.61 g/mol, Methylmalonyl-CoA is a heavy molecule. It is classified within the superclass of lipids and lipid-like molecules.</description> <cas>104809-02-1</cas> <pubchem-id>439291</pubchem-id> <chemical-formula>C25H40N7O19P3S</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">2016-05-26T05:31:32Z</created-at> <updated-at type="dateTime">2026-04-06T12:24:10Z</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>C[C@@H](C(O)=O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N</moldb-smiles> <moldb-formula>C25H40N7O19P3S</moldb-formula> <moldb-inchi>InChI=1S/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-13,16-18,22,34-35H,4-9H2,1-3H3,(H,27,33)(H,28,36)(H,37,38)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t12-,13+,16+,17+,18?,22+/m0/s1</moldb-inchi> <moldb-inchikey>MZFOKIKEPGUZEN-PNEPRAIJSA-N</moldb-inchikey> <moldb-average-mass type="decimal">867.607</moldb-average-mass> <moldb-mono-mass type="decimal">867.131252359</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM035145</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00123650</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>400.9299999999999</moldb-polar-surface-area> <moldb-refractivity>183.12660000000005</moldb-refractivity> <moldb-polarizability>75.35219926302744</moldb-polarizability> <moldb-rotatable-bond-count>22</moldb-rotatable-bond-count> <moldb-acceptor-count>19</moldb-acceptor-count> <moldb-donor-count>10</moldb-donor-count> <moldb-pka-strongest-acidic>0.8248176615517999</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.974397514089584</moldb-pka-strongest-basic> <moldb-physiological-charge>-5</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>-0.60</moldb-alogps-logp> <moldb-alogps-logs>-2.39</moldb-alogps-logs> <moldb-alogps-solubility>3.57e+00 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Lipids and lipid-like molecules</superklass> <klass>Fatty Acyls</klass> <subklass>Fatty acyl thioesters</subklass> <paper-count type="integer">5973</paper-count> <sync-id>CED0004063</sync-id> <structure-inchikey>MZFOKIKEPGUZEN-PNEPRAIJSA-N</structure-inchikey> <structure-fingerprint>400400004040080010108000000028000000000000000000a4004000100000000000001000000000000000000210006004800000024000000000000003400020000800000000000440000400200000001020801000000100000000000000400000001000012000000000000100000000000000000900000020000800000000180040002040000000011000000000800080009082100000000000000014400000000000000000000000000000080000000000000000085000000100000004000001000008480004000000000000000000000000008000080808000000000000000000201000020800001040000000000440000002000004000000000400400000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAA3AAAAOQAAAIABBgBgAAAAAQMGIDQAAAAB AQQGACgAAAADBAgAaAAAAAMBAQgAKAAAAAMCBgAoAAAAAwQIACgAAAADAhAA IAAAAAIGAGAAAAACAgYAYAAAAAICBwBoAAAAAwIBBgAoAAAAAwQIACgAAAAD AgYAYAAAAAICBgBgAAAAAgIHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBgBg AAAAAwEIAGAAAAABAQYAIAAAAAQGAGAAAAABAwYAYAAAAAEDBgBgAAAAAgII ACAAAAACDwAgAAAABQgAYAAAAAEBCAAoAAAAAwIIACAAAAACDwAgAAAABQgA YAAAAAEBCAAoAAAAAwIIACAAAAACBgBgAAAAAgIGIDQAAAABAQQIACAAAAAC BiA0AAAAAgEEBiA0AAAAAgEECABgAAAAAQEGIDQAAAACAQQIACAAAAACDwAg AAAABQgAYAAAAAEBCABgAAAAAQEIACgAAAADAgdAKAAAAAMDBkBoAAAAAwMB B0AoAAAAAwMGQCgAAAADBAZAKAAAAAMEB0AoAAAAAwMGQGgAAAADAwEHQCgA AAADAwZAKAAAAAMEBwBoAAAAAwECCwABAAECAAIDIAIEKAIBBQAFBggCBQcA BwgACAkACQoACgsgCwwoAgsNAA0OAA4PAA8QIBARKAIQEgASEwASFAAUFQAU FgAUFwAXGAAYGQAZGgAZGwgCGRwAHB0AHR4AHR8IAh0gACAhACEiACIjACMk ACQlACUmACUnACcoACgpACkqACkrACksCAIkLQAtLmgMLi9oDC8waAwwMWgM MTJoDDIzaAwzNGgMNDVoDDU2ICciADEtaAw1MGgMQgMAAAAFIiMkJScFLi0x MC8GMjM0NTAxFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:10:57Z</structure-indexed-at> </compound>