charge
label: بار @fa

formula
label: فرمول @fa

has_role
label: نقشی دارد @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

synonym EXACT
label: مترادف دقیق @fa

synonym RELATED
label: مترادف مرتبط @fa

microcystin rr
type: Concept
charge: 0
formula: C49H75N13O12
has_role: xenobiotic
has_role: environmental contaminant
has_role: bacterial metabolite
inchi: InChI=1S/C49H75N13O12/c1-26(24-27(2)37(74-8)25-32-14-10-9-11-15-32)18-19-33-28(3)40(64)60-36(46(70)71)20-21-38(63)62(7)31(6)43(67)56-30(5)42(66)59-35(17-13-23-55-49(52)53)45(69)61-39(47(72)73)29(4)41(65)58-34(44(68)57-33)16-12-22-54-48(50)51/h9-11,14-15,18-19,24,27-30,33-37,39H,6,12-13,16-17,20-23,25H2,1-5,7-8H3,(H,56,67)(H,57,68)(H,58,65)(H,59,66)(H,60,64)(H,61,69)(H,70,71)(H,72,73)(H4,50,51,54)(H4,52,53,55)/b19-18+,26-24+/t27-,28-,29-,30+,33-,34-,35-,36+,37-,39+/m0/s1
inchikey: JIGDOBKZMULDHS-UUHBQKJESA-N
mass: 1038.202
monoisotopicmass: 1037.56581
subset: 2_STAR
synonym EXACT: (5R,8S,11R,12S,15S,18S,19S,22R)-8,15-bis(3-carbamimidamidopropyl)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dien-1-yl]-1,5,12,19-tetramethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
synonym EXACT: cyclo[D-alanyl-L-arginyl-(3S)-3-methyl-D-beta-aspartyl-L-arginyl-(2S,3S,4E,6E,8S,9S)-3-amino-4,5,6,7-tetradehydro-9-methoxy-2,6,8-trimethyl-10-phenyldecanoyl-D-gamma-glutamyl-2,3-didehydro-N-methylalanyl]
synonym RELATED: MC-RR
synonym RELATED: Cyanoginosin RR
broader: organic molecular entity
broader: microcystin
preferred label: میکروسیستین RR @fa

xenobiotic
type: Concept
preferred label: بیگانه بیوتیک @fa

microcystin
type: Concept
narrower: microcystin rr
preferred label: میکروسیستین @fa

organic molecular entity
type: Concept
narrower: microcystin rr
preferred label: موجودیت مولکولی آلی @fa

bacterial metabolite
type: Concept
preferred label: متابولیت باکتریایی @fa

environmental contaminant
type: Concept
preferred label: آلاینده محیطی @fa