Chem
J-GLOBAL ID:200907078953001690   Nikkaji number:J342.166J

Anthelmycin

ヒキジマイシン
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: C21H37N5O14
Molecular formula furigana: C21-H37-N5-O14
Molecular weight: 583.548
InChI: InChI=1S/C21H37N5O14/c22-7-1-2-26(21(37)25-7)19-16(36)12(32)9(24)17(39-19)18(15(35)14(34)10(30)5(29)3-27)40-20-13(33)8(23)11(31)6(4-28)38-20/h1-2,5-6,8-20,27-36H,3-4,23-24H2,(H2,22,25,37)/t5-,6-,8+,9+,10-,11-,12+,13-,14+,15+,16-,17+,18-,19-,20+/m1/s1
InChI key: VQQSDVBOXQHCHU-SKPOXZENSA-N
SMILES: N[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]([C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]2O[C@H]([C@H](O)[C@@H](O)[C@@H]2N)n2ccc(N)nc2=O)[C@@H]1O
Systematic name  (3):
  • 4-アミノ-1-[4-アミノ-6-O-(3-アミノ-3-デオキシ-β-D-グルコピラノシル)-4-デオキシ-D-glycero-D-galacto-β-D-gluco-ウンデコピラノシル]-2(1H)-ピリミジノン
  • 4-アミノ-1-[(2R,3R,4S,5S,6S)-5-アミノ-6-[(1R,2S,3S,4R,5R)-1-{[(2S,3R,4S,5S,6R)-4-アミノ-3,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}-2,3,4,5,6-ペンタヒドロキシヘキシル]-3,4-ジヒドロキシオキサン-2-イル]-1,2-ジヒドロピリミジン-2-オン
  • 4-amino-1-[(2R,3R,4S,5S,6S)-5-amino-6-[(1R,2S,3S,4R,5R)-1-{[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3,4,5,6-pentahydroxyhexyl]-3,4-dihydroxyoxan-2-yl]-1,2-dihydropyrimidin-2-one
Other name (5):
  • Anthelmycin
  • Hikizimycin
  • アンテルマイシン
  • ヒキジマイシン
  • 4-Amino-1-[4-amino-6-O-(3-amino-3-deoxy-β-D-glucopyranosyl)-4-deoxy-D-glycero-D-galacto-β-D-gluco-undecopyranosyl]-2(1H)-pyrimidinone
CAS registry number: 12706-94-4
Regulation number (1):
  • UW7350200
KEGG DRUG: D02951
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