Chem
J-GLOBAL ID：200907052764933605
Nikkaji number：J712.465A
11-Saxitoxinethanoic acid
11-サキシトキシンエタン酸
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
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
Molecular formula： C12H19N7O6
Molecular formula furigana： C12-H19-N7-O6
Molecular weight： 357.327
InChI：
InChI=1S/C12H19N7O6/c13-8-17-7-5(3-25-10(15)22)16-9(14)19-2-4(1-6(20)21)12(23,24)11(7,19)18-8/h4-5,7,23-24H,1-3H2,(H2,14,16)(H2,15,22)(H,20,21)(H3,13,17,18)/t4?,5-,7-,11-/m0/s1
InChI key：
SMWWHDAUBMWEJQ-QKVGUZEESA-N
SMILES：
NC(=O)OC[C@@H]1N=C(N)N2CC(CC(=O)O)C(O)(O)[C@]32NC(=N[C@@H]13)N
Systematic name (4)：
- (3aS,10aS)-2,6-ジアミノ-4α-[[(アミノカルボニル)オキシ]メチル]-10,10-ジヒドロキシ-3aα,4,8,9-テトラヒドロ-1H,10H-ピロロ[1,2-c]プリン-9-酢酸
- (3R)-1-イミノ-3β-(カルバモイルオキシメチル)-4α,4aα-(グアニジン-1,3-ジイル)-5,5-ジヒドロキシオクタヒドロピロロ[1,2-c]ピリミジン-6-酢酸
- 2-[(3aS,4R,10aS)-2,6-ジアミノ-4-[(カルバモイルオキシ)メチル]-10,10-ジヒドロキシ-1H,3aH,4H,8H,9H,10H-ピロロ[1,2-c]プリン-9-イル]酢酸
- 2-[(3aS,4R,10aS)-2,6-diamino-4-[(carbamoyloxy)methyl]-10,10-dihydroxy-1H,3aH,4H,8H,9H,10H-pyrrolo[1,2-c]purin-9-yl]acetic acid
- 11-サキシトキシンエタン酸
- 11-Saxitoxinethanoic acid
- (3aS,10aS)-2,6-Diamino-4α-[[(aminocarbonyl)oxy]methyl]-10,10-dihydroxy-3aα,4,8,9-tetrahydro-1H,10H-pyrrolo[1,2-c]purine-9-acetic acid
- (3R)-1-Imino-3β-(carbamoyloxymethyl)-4α,4aα-(guanidine-1,3-diyl)-5,5-dihydroxyoctahydropyrrolo[1,2-c]pyrimidine-6-acetic acid
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