Chem
J-GLOBAL ID:200907049225369185
Nikkaji number:J866.654G
(2S,3R,4E,8E)-2-(2-Hydroxyicosanoylamino)-1-(β-D-glucopyranosyloxy)octadeca-4,8-diene-3-ol
(2S,3R,4E,8E)-2-(2-ヒドロキシイコサノイルアミノ)-1-(β-D-グルコピラノシルオキシ)オクタデカ-4,8-ジエン-3-オール
Download MOL file
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:
C44 H83 NO9
Molecular formula furigana:
C44-H83-N-O9
Molecular weight:
770.146
InChI:
InChI=1S/C44H83NO9/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-38(48)43(52)45-36(35-53-44-42(51)41(50)40(49)39(34-46)54-44)37(47)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h22,24,30,32,36-42,44,46-51H,3-21,23,25-29,31,33-35H2,1-2H3,(H,45,52)/b24-22+,32-30+/t36-,37+,38?,39+,40+,41-,42+,44+/m0/s1
InChI key:
DCBUKXJYPRDHOR-GHGJWGTDSA-N
SMILES:
CCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C/CCCCCCCCC
Systematic name (4):
N-[(1S,2R,3E,7E)-1-[(β-D-グルコピラノシルオキシ)メチル]-2-ヒドロキシ-3,7-ヘプタデカジエニル]-2-ヒドロキシイコサンアミド
(2S,3R,4E,8E)-2-(2-ヒドロキシイコサノイルアミノ)-1-(β-D-グルコピラノシルオキシ)オクタデカ-4,8-ジエン-3-オール
2-ヒドロキシ-N-[(2S,3R,4E,8E)-3-ヒドロキシ-1-{[(2R,3R,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}オクタデカ-4,8-ジエン-2-イル]イコサンアミド
2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]icosanamide
Other name (2):
N-[(1S,2R,3E,7E)-1-[(β-D-Glucopyranosyloxy)methyl]-2-hydroxy-3,7-heptadecadienyl]-2-hydroxyicosanamide
(2S,3R,4E,8E)-2-(2-Hydroxyicosanoylamino)-1-(β-D-glucopyranosyloxy)octadeca-4,8-diene-3-ol
Thsaurus map:
Return to Previous Page