Chem
J-GLOBAL ID:200907018441228844   Nikkaji number:J1.991.573E

1-O-(1-O-Octadecyl-D-glycero-3-phospho)-2-O-hexadecanoyl-6-O-[2-amino-2-deoxy-4-O-[6-O-[2-O-[6-O-(2-aminoethoxyhydroxyphosphinyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-glucopyranosyl]-D-myo-inositol

1-O-(1-O-オクタデシル-D-グリセロ-3-ホスホ)-2-O-ヘキサデカノイル-6-O-[2-アミノ-2-デオキシ-4-O-[6-O-[2-O-[6-O-(2-アミノエトキシヒドロキシホスフィニル)-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]-α-D-グルコピラノシル]-D-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: C69H132N2O34P2
Molecular formula furigana: C69-H132-N2-O34-P2
Molecular weight: 1595.743
InChI: InChI=1S/C69H132N2O34P2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-34-92-38-42(74)39-95-107(90,91)105-65-62(101-47(75)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2)57(84)55(82)58(85)63(65)103-66-48(71)52(79)61(44(37-73)98-66)102-67-59(86)53(80)50(77)45(99-67)40-93-69-64(56(83)49(76)43(36-72)97-69)104-68-60(87)54(81)51(78)46(100-68)41-96-106(88,89)94-35-33-70/h42-46,48-69,72-74,76-87H,3-41,70-71H2,1-2H3,(H,88,89)(H,90,91)/t42-,43+,44+,45+,46+,48+,49+,50+,51+,52+,53-,54-,55+,56-,57+,58-,59-,60-,61+,62+,63+,64-,65+,66+,67+,68+,69-/m0/s1
InChI key: LLRMLIJVUDHFHF-FMHMKLPMSA-N
SMILES: CCCCCCCCCCCCCCCCCCOC[C@H](O)COP(=O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](COP(=O)(O)OCCN)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2N)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3):
  • 1-O-(1-O-オクタデシル-D-グリセロ-3-ホスホ)-2-O-ヘキサデカノイル-6-O-[2-アミノ-2-デオキシ-4-O-[6-O-[2-O-[6-O-(2-アミノエトキシヒドロキシホスフィニル)-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]-α-D-グルコピラノシル]-D-myo-イノシトール
  • {[(2R,3S,4S,5S,6R)-6-{[(2S,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-6-{[(2R,3S,4R,5R,6R)-5-アミノ-6-{[(1R,2S,3R,4R,5S,6S)-3-(ヘキサデカノイルオキシ)-4,5,6-トリヒドロキシ-2-({ヒドロキシ[(2S)-2-ヒドロキシ-3-(オクタデシルオキシ)プロポキシ]ホスホリル}オキシ)シクロヘキシル]オキシ}-4-ヒドロキシ-2-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-4,5-ジヒドロキシ-6-(ヒドロキシメチル)オキサン-3-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}(2-アミノエトキシ)ホスフィン酸
  • {[(2R,3S,4S,5S,6R)-6-{[(2S,3S,4S,5S,6R)-2-{[(2R,3S,4S,5S,6R)-6-{[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2S,3R,4R,5S,6S)-3-(hexadecanoyloxy)-4,5,6-trihydroxy-2-({hydroxy[(2S)-2-hydroxy-3-(octadecyloxy)propoxy]phosphoryl}oxy)cyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}(2-aminoethoxy)phosphinic acid
Other name (1):
  • 1-O-(1-O-Octadecyl-D-glycero-3-phospho)-2-O-hexadecanoyl-6-O-[2-amino-2-deoxy-4-O-[6-O-[2-O-[6-O-(2-aminoethoxyhydroxyphosphinyl)-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-mannopyranosyl]-α-D-glucopyranosyl]-D-myo-inositol
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