Chem
J-GLOBAL ID：200907036824610317   Nikkaji number：J2.080.273A

3-O-[N-[(N-Glycoloyl-9-O-methyl-α-neuraminosyloxy)acetyl]-9-O-methyl-α-neuraminosyl]-D-myo-inositol 1-[phosphoric acid (2S,3R,4E)-2-(docosanoylamino)-3-hydroxy-4-hexadecenyl] ester

3-O-[N-[(N-グリコロイル-9-O-メチル-α-ノイラミノシルオキシ)アセチル]-9-O-メチル-α-ノイラミノシル]-D-myo-イノシトール1-[りん酸(2S,3R,4E)-2-(ドコサノイルアミノ)-3-ヒドロキシ-4-ヘキサデセニル]
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： C68H124N3O29P
Molecular formula furigana： C68-H124-N3-O29-P
Molecular weight： 1478.706
InChI： InChI=1S/C68H124N3O29P/c1-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-50(78)69-44(45(73)35-33-31-29-27-25-16-14-12-10-8-6-2)40-96-101(91,92)100-64-59(85)57(83)58(84)63(60(64)86)99-68(66(89)90)38-47(75)54(62(98-68)56(82)49(77)42-94-4)71-52(80)43-95-67(65(87)88)37-46(74)53(70-51(79)39-72)61(97-67)55(81)48(76)41-93-3/h33,35,44-49,53-64,72-77,81-86H,5-32,34,36-43H2,1-4H3,(H,69,78)(H,70,79)(H,71,80)(H,87,88)(H,89,90)(H,91,92)/b35-33+/t44-,45+,46-,47-,48+,49+,53+,54+,55+,56+,57-,58-,59+,60+,61+,62+,63+,64-,67+,68-/m0/s1
InChI key： ILTNWGMGCOTTMP-LBROMKLISA-N
SMILES： CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O[C@@]2(C[C@H](O)[C@@H](NC(=O)CO[C@@]3(C[C@H](O)[C@@H](NC(=O)CO)[C@@H](O3)[C@H](O)[C@H](O)COC)C(=O)O)[C@@H](O2)[C@H](O)[C@H](O)COC)C(=O)O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCC
Systematic name  (3)：
  • 3-O-[N-[(N-グリコロイル-9-O-メチル-α-ノイラミノシルオキシ)アセチル]-9-O-メチル-α-ノイラミノシル]-D-myo-イノシトール1-[りん酸(2S,3R,4E)-2-(ドコサノイルアミノ)-3-ヒドロキシ-4-ヘキサデセニル]
  • (2S,4S,5R,6R)-5-(2-{[(2R,4S,5R,6R)-2-カルボキシ-6-[(1R,2R)-1,2-ジヒドロキシ-3-メトキシプロピル]-4-ヒドロキシ-5-(2-ヒドロキシアセトアミド)オキサン-2-イル]オキシ}アセトアミド)-6-[(1R,2R)-1,2-ジヒドロキシ-3-メトキシプロピル]-2-{[(1R,2R,3S,4R,5S,6S)-3-[({[(2S,3R,4E)-2-ドコサンアミド-3-ヒドロキシヘキサデカ-4-エン-1-イル]オキシ}(ヒドロキシ)ホスホリル)オキシ]-2,4,5,6-テトラヒドロキシシクロヘキシル]オキシ}-4-ヒドロキシオキサン-2-カルボン酸
  • (2S,4S,5R,6R)-5-(2-{[(2R,4S,5R,6R)-2-carboxy-6-[(1R,2R)-1,2-dihydroxy-3-methoxypropyl]-4-hydroxy-5-(2-hydroxyacetamido)oxan-2-yl]oxy}acetamido)-6-[(1R,2R)-1,2-dihydroxy-3-methoxypropyl]-2-{[(1R,2R,3S,4R,5S,6S)-3-[({[(2S,3R,4E)-2-docosanamido-3-hydroxyhexadec-4-en-1-yl]oxy}(hydroxy)phosphoryl)oxy]-2,4,5,6-tetrahydroxycyclohexyl]oxy}-4-hydroxyoxane-2-carboxylic acid
Other name (1)：
  • 3-O-[N-[(N-Glycoloyl-9-O-methyl-α-neuraminosyloxy)acetyl]-9-O-methyl-α-neuraminosyl]-D-myo-inositol 1-[phosphoric acid (2S,3R,4E)-2-(docosanoylamino)-3-hydroxy-4-hexadecenyl] ester
Thsaurus map：
Thesaurus Map

Return to Previous Page

TOP

BOTTOM