Chem
J-GLOBAL ID:200907014650385684   Nikkaji number:J1.185.572E

1-O-(1-O,2-O-Dihexadecanoyl-L-glycero-3-phospho)-6-O-(4-O-α-D-mannopyranosyl-2-amino-2-deoxy-α-D-glucopyranosyl)-D-myo-inositol

6-O-[4-O-(α-D-マンノピラノシル)-2-アミノ-2-デオキシ-α-D-グルコピラノシル]-D-myo-イノシトール1-りん酸(R)-2,3-ビス(ヘキサデカノイルオキシ)プロピル
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: C53H100NO22P
Molecular formula furigana: C53-H100-N-O22-P
Molecular weight: 1134.342
InChI: InChI=1S/C53H100NO22P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(57)69-33-35(71-39(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-70-77(67,68)76-51-47(65)45(63)44(62)46(64)50(51)75-52-40(54)42(60)49(37(32-56)73-52)74-53-48(66)43(61)41(59)36(31-55)72-53/h35-37,40-53,55-56,59-66H,3-34,54H2,1-2H3,(H,67,68)/t35-,36-,37-,40-,41-,42-,43+,44-,45-,46+,47-,48+,49-,50-,51-,52-,53-/m1/s1
InChI key: CLXRIWJWZPKVGJ-FIBULPTESA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1N)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (4):
  • 1-O-(1-O,2-O-ジヘキサデカノイル-L-グリセロ-3-ホスホ)-6-O-(4-O-α-D-マンノピラノシル-2-アミノ-2-デオキシ-α-D-グルコピラノシル)-D-myo-イノシトール
  • 6-O-[4-O-(α-D-マンノピラノシル)-2-アミノ-2-デオキシ-α-D-グルコピラノシル]-D-myo-イノシトール1-りん酸(R)-2,3-ビス(ヘキサデカノイルオキシ)プロピル
  • {[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-アミノ-4-ヒドロキシ-6-(ヒドロキシメチル)-5-{[(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}-3,4,5,6-テトラヒドロキシシクロヘキシル]オキシ}[(2R)-2,3-ビス(ヘキサデカノイルオキシ)プロポキシ]ホスフィン酸
  • {[(1R,2R,3S,4R,5R,6R)-2-{[(2R,3R,4R,5S,6R)-3-amino-4-hydroxy-6-(hydroxymethyl)-5-{[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4,5,6-tetrahydroxycyclohexyl]oxy}[(2R)-2,3-bis(hexadecanoyloxy)propoxy]phosphinic acid
Other name (2):
  • 1-O-(1-O,2-O-Dihexadecanoyl-L-glycero-3-phospho)-6-O-(4-O-α-D-mannopyranosyl-2-amino-2-deoxy-α-D-glucopyranosyl)-D-myo-inositol
  • 6-O-[4-O-(α-D-Mannopyranosyl)-2-amino-2-deoxy-α-D-glucopyranosyl]-D-myo-inositol 1-phosphoric acid (R)-2,3-bis(hexadecanoyloxy)propyl ester
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