Chem
J-GLOBAL ID：200907093676251403   Nikkaji number：J458.364G

(D-Asp3)microcystin RR

[D-Asp3]ミクロシスチンRR
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C48H73N13O12
Molecular formula furigana： C48-H73-N13-O12
Molecular weight： 1024.191
InChI： InChI=1S/C48H73N13O12/c1-26(23-27(2)37(73-7)24-31-13-9-8-10-14-31)17-18-32-28(3)40(64)59-35(45(69)70)19-20-39(63)61(6)30(5)42(66)55-29(4)41(65)58-34(16-12-22-54-48(51)52)44(68)60-36(46(71)72)25-38(62)56-33(43(67)57-32)15-11-21-53-47(49)50/h8-10,13-14,17-18,23,27-29,32-37H,5,11-12,15-16,19-22,24-25H2,1-4,6-7H3,(H,55,66)(H,56,62)(H,57,67)(H,58,65)(H,59,64)(H,60,68)(H,69,70)(H,71,72)(H4,49,50,53)(H4,51,52,54)/b18-17+,26-23+/t27-,28-,29+,32?,33?,34-,35+,36?,37-/m0/s1
InChI key： UNKUVURYGRFCIZ-BWKUGVRCSA-N
SMILES： CO[C@@H](Cc1ccccc1)[C@@H](C)/C=C(\C)/C=C/C1NC(=O)C(CCCNC(=N)N)NC(=O)CC(NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](C)NC(=O)C(=C)N(C)C(=O)CC[C@@H](NC(=O)[C@H]1C)C(=O)O)C(=O)O
Systematic name  (4)：
  • N-メチルシクロ[Dha-D-Ala-L-Arg-D-βAsp-L-Arg-[(2S,3S)-2-メチル-3-[(1E,3E,5S,6S)-3,5-ジメチル-6-メトキシ-7-フェニルヘプタ-1,3-ジエニル]-βAla-]-D-γGlu-]
  • シクロ[D-Ala-L-Arg-D-βAsp-L-Arg-[(2S,3S)-2-メチル-3-[(1E,3E,5S,6S)-3,5-ジメチル-6-メトキシ-7-フェニル-1,3-ヘプタジエン-1-イル]-βAla-]-D-γGlu-N-メチル-Dha-]
  • (5R,8S,11R,15S,18S,19S,22R)-8,15-ビス(3-カルバムイミドアミドプロピル)-18-[(1E,3E,5S,6S)-6-メトキシ-3,5-ジメチル-7-フェニルヘプタ-1,3-ジエン-1-イル]-1,5,19-トリメチル-2-メチリデン-3,6,9,13,16,20,25-ヘプタオキソ-1,4,7,10,14,17,21-ヘプタアザシクロペンタコサン-11,22-ジカルボン酸
  • (5R,8S,11R,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]-1,5,19-trimethyl-2-methylidene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptaazacyclopentacosane-11,22-dicarboxylic acid
Other name (6)：
  • [D-Asp3]ミクロシスチンRR
  • [D-Asp3]microcystin RR
  • N-Methylcyclo[Dha-D-Ala-L-Arg-D-Asp-L-Arg-[(2S,3S)-2-methyl-3-[(1E,3E,5S,6S)-3,5-dimethyl-6-methoxy-7-phenylhepta-1,3-dienyl]-βAla-]-D-γGlu-]
  • Cyclo[D-Ala-L-Arg-D-βAsp-L-Arg-[(2S,3S)-2-methyl-3-[(1E,3E,5S,6S)-3,5-dimethyl-6-methoxy-7-phenyl-1,3-heptadiene-1-yl]-βAla-]-D-γGlu-N-methyl-Dha-]
  • 3-デスメチルミクロシスチンRR
Show all
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM