Chem
J-GLOBAL ID：200907025043837810   Nikkaji number：J2.176.581C

3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-[6-O-[2-O-[2-O-α-D-mannopyranosyl-6-O-[(2-ammonioethoxy)phosphonyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-2-deoxy-α-D-glucopyranosyl]-L-myo-inositol

3-O-[(6-メルカプトヘキシルオキシ)ホスホニル]-4-O-[2-アンモニオ-4-O-[6-O-[2-O-[2-O-α-D-マンノピラノシル-6-O-[(2-アンモニオエトキシ)ホスホニル]-α-D-マンノピラノシル]-α-D-マンノピラノシル]-α-D-マンノピラノシル]-2-デオキシ-α-D-グルコピラノシル]-L-myo-イノシトール
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： C44H84[N+]2O36P2S
Molecular formula furigana： C44-H84-N2-O36-P2-S
Molecular weight： 1311.140
InChI： InChI=1S/C44H82N2O36P2S/c45-5-7-71-83(65,66)72-13-18-23(53)30(60)39(80-41-33(63)25(55)20(50)14(9-47)73-41)44(77-18)81-38-29(59)21(51)15(10-48)74-43(38)69-12-17-22(52)26(56)34(64)42(76-17)78-35-16(11-49)75-40(19(46)24(35)54)79-36-31(61)27(57)28(58)32(62)37(36)82-84(67,68)70-6-3-1-2-4-8-85/h14-44,47-64,85H,1-13,45-46H2,(H,65,66)(H,67,68)/p+2/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+,26+,27-,28-,29+,30+,31+,32-,33+,34+,35-,36-,37-,38+,39+,40-,41-,42-,43+,44-/m1/s1
InChI key： WFXMGSYBMJTKFR-JIGDVKPJSA-P
SMILES： [NH3+]CCOP(=O)(O)OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H]([NH3+])[C@@H](O[C@@H]4[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]4OP(=O)(O)OCCCCCCS)O[C@@H]3CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O
Systematic name  (3)：
  • 3-O-[(6-メルカプトヘキシルオキシ)ホスホニル]-4-O-[2-アンモニオ-4-O-[6-O-[2-O-[2-O-α-D-マンノピラノシル-6-O-[(2-アンモニオエトキシ)ホスホニル]-α-D-マンノピラノシル]-α-D-マンノピラノシル]-α-D-マンノピラノシル]-2-デオキシ-α-D-グルコピラノシル]-L-myo-イノシトール
  • (2R,3R,4R,5S,6R)-5-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-6-({[(2-アザニウミルエトキシ)(ヒドロキシ)ホスホリル]オキシ}メチル)-4,5-ジヒドロキシ-3-{[(2R,3S,4S,5S,6R)-3,4,5-トリヒドロキシ-6-(ヒドロキシメチル)オキサン-2-イル]オキシ}オキサン-2-イル]オキシ}-4,5-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}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-4-ヒドロキシ-6-(ヒドロキシメチル)-2-{[(1R,2S,3R,4R,5R,6R)-2,3,4,5-テトラヒドロキシ-6-({ヒドロキシ[(6-スルファニルヘキシル)オキシ]ホスホリル}オキシ)シクロヘキシル]オキシ}オキサン-3-アミニウム
  • (2R,3R,4R,5S,6R)-5-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-6-({[(2-azaniumylethoxy)(hydroxy)phosphoryl]oxy}methyl)-4,5-dihydroxy-3-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-{[(1R,2S,3R,4R,5R,6R)-2,3,4,5-tetrahydroxy-6-({hydroxy[(6-sulfanylhexyl)oxy]phosphoryl}oxy)cyclohexyl]oxy}oxan-3-aminium
Other name (1)：
  • 3-O-[(6-Mercaptohexyloxy)phosphonyl]-4-O-[2-ammonio-4-O-[6-O-[2-O-[2-O-α-D-mannopyranosyl-6-O-[(2-ammonioethoxy)phosphonyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-2-deoxy-α-D-glucopyranosyl]-L-myo-inositol
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM