Chem
J-GLOBAL ID:201107092146375820   Nikkaji number:J2.965.164G

2-O-(α-D-Mannopyranosyl)-3-O-[[(2R)-2,3-bis(palmitoyloxy)propoxy](aminiooxy)phosphinyl]-4-O-[6-O-[6-O-[2-O-[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-L-myo-inositol

2-O-(α-D-マンノピラノシル)-3-O-[[(2R)-2,3-ビス(パルミトイルオキシ)プロポキシ](アミニオオキシ)ホスフィニル]-4-O-[6-O-[6-O-[2-O-[2-O-(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]-α-D-マンノピラノシル]-α-D-マンノピラノシル]-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: C77H141[N+]O43P
Molecular formula furigana: C77-H141-N-O43-P
Molecular weight: 1799.912
InChI: InChI=1S/C77H141NO43P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-46(83)105-35-39(109-47(84)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-108-122(104,121-78)120-71-67(116-73-64(101)54(91)48(85)40(31-79)110-73)61(98)58(95)62(99)68(71)117-75-66(103)57(94)53(90)45(115-75)37-106-72-63(100)56(93)52(89)44(114-72)38-107-76-69(59(96)50(87)42(33-81)112-76)119-77-70(60(97)51(88)43(34-82)113-77)118-74-65(102)55(92)49(86)41(32-80)111-74/h39-45,48-77,79-82,85-103H,3-38H2,1-2,78H3/q+1/t39-,40-,41-,42-,43-,44-,45-,48-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58?,59+,60+,61-,62+,63+,64+,65+,66+,67-,68-,69+,70+,71-,72+,73-,74-,75-,76+,77-,122?/m1/s1
InChI key: DZBRDJFRKFBBKP-PYPHFKSMSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O[NH3+])O[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)C(O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3):
  • 2-O-(α-D-マンノピラノシル)-3-O-[[(2R)-2,3-ビス(パルミトイルオキシ)プロポキシ](アミニオオキシ)ホスフィニル]-4-O-[6-O-[6-O-[2-O-[2-O-(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]-α-D-マンノピラノシル]-α-D-マンノピラノシル]-L-myo-イノシトール
  • ({[(2R)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]({[(1R,2R,3S,5R,6R)-2-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-ジヒドロキシ-6-(ヒドロキシメチル)-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}メチル)-3,4,5-トリヒドロキシオキサン-2-イル]オキシ}-3,4,5-トリヒドロキシ-6-{[(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}シクロヘキシル]オキシ})ホスホリル}オキシ)アザニウム
  • ({[(2R)-2,3-bis(hexadecanoyloxy)propoxy]({[(1R,2R,3S,5R,6R)-2-{[(2R,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-6-({[(2S,3S,4S,5S,6R)-3-{[(2R,3S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-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}methyl)-3,4,5-trihydroxyoxan-2-yl]oxy}-3,4,5-trihydroxy-6-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohexyl]oxy})phosphoryl}oxy)azanium
Other name (1):
  • 2-O-(α-D-Mannopyranosyl)-3-O-[[(2R)-2,3-bis(palmitoyloxy)propoxy](aminiooxy)phosphinyl]-4-O-[6-O-[6-O-[2-O-[2-O-(α-D-mannopyranosyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-L-myo-inositol
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