124797 <common-name>[Mdha-Cys7]MC-LR</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>155802384</pubchem-id> <chemical-formula>C52H81N11O14S</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">2026-04-06T08:40:52Z</created-at> <updated-at type="dateTime">2026-05-21T08:56:55Z</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>C52H81N11O14S</moldb-formula> <moldb-inchi>InChI=1S/C52H81N11O14S/c1-27(2)22-38-47(69)62-42(51(75)76)31(6)44(66)59-36(16-13-21-56-52(54)55)46(68)58-35(18-17-28(3)23-29(4)40(77-9)24-33-14-11-10-12-15-33)30(5)43(65)60-37(50(73)74)19-20-41(64)63(8)39(26-78-25-34(53)49(71)72)48(70)57-32(7)45(67)61-38/h10-12,14-15,17-18,23,27,29-32,34-40,42H,13,16,19-22,24-26,53H2,1-9H3,(H,57,70)(H,58,68)(H,59,66)(H,60,65)(H,61,67)(H,62,69)(H,71,72)(H,73,74)(H,75,76)(H4,54,55,56)/b18-17+,28-23+/t29-,30-,31-,32+,34-,35-,36-,37+,38-,39?,40-,42+/m0/s1</moldb-inchi> <moldb-inchikey>VXYRNKOTKQZSDD-SZEQAKQOSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">1115.568517</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>CHEM120690</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00114660</susdat-id> <iupac>(5R,8S,11R,12S,15S,18S,19S,22R)-2-((((R)-2-amino-2-carboxyethyl)thio)methyl)-15-(3-guanidinopropyl)-8-isobutyl-18-((1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl)-1,5,12,19-tetramethyl-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic 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>