124561 <common-name>[DMAdda5]MCLR</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>101641983</pubchem-id> <chemical-formula>C48H72N10O12</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">2026-04-06T08:24:49Z</created-at> <updated-at type="dateTime">2026-05-21T08:23:47Z</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 nil="true"/> <moldb-formula>C48H72N10O12</moldb-formula> <moldb-inchi>InChI=1S/C48H72N10O12/c125(2)223645(66)5739(47(69)70)29(6)41(62)5434(1613215148(49)50)44(65)5333(181726(3)2327(4)37(59)2432141110121532)28(5)40(61)5535(46(67)68)192038(60)58(9)31(8)43(64)5230(7)42(63)5636/h1012,1415,1718,23,25,2730,3337,39,59H,8,13,16,1922,24H2,17,9H3,(H,52,64)(H,53,65)(H,54,62)(H,55,61)(H,56,63)(H,57,66)(H,67,68)(H,69,70)(H4,49,50,51)/b1817+,2623+/t27,28,29,30+,33,34,35+,36,37,39+/m0/s1</moldb-inchi> <moldb-inchikey>IYDKWWDUBYWQGF-ZVCLVCPPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">980.5331181</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>CHEM120454</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00114397</susdat-id> <iupac>(5R,8S,11R,12S,15S,18S,19S,22R)15(3((diaminomethylene)amino)propyl)18((1E,3E,5S,6S)6hydroxy3,5dimethyl7phenylhepta1,3dien1yl)8isobutyl1,5,12,19tetramethyl2methylene3,6,9,13,16,20,25heptaoxo1,4,7,10,14,17,21heptaazacyclopentacosane11,22dicarboxylic acid</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"/> </compound>