Chem
J-GLOBAL ID:200907002943852823
Nikkaji number:J738.719I
N-[(1S,2R,3E)-1-[[[6-O-[6-O-[[2-(Trimethylaminio)ethoxy]phosphonyl]-β-D-galactopyranosyl]-β-D-galactopyranosyl]oxy]methyl]-2-hydroxy-14-methyl-3-heptadecenyl]tetracosanamide
N-[(1S,2R,3E)-1-[[[6-O-[6-O-[[2-(トリメチルアミニオ)エトキシ]ホスホニル]-β-D-ガラクトピラノシル]-β-D-ガラクトピラノシル]オキシ]メチル]-2-ヒドロキシ-14-メチル-3-ヘプタデセニル]テトラコサンアミド
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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:
C60 H118 N[N+]O16 P
Molecular formula furigana:
C60-H118-N2-O16-P
Molecular weight:
1154.575
InChI:
InChI=1S/C60H117N2O16P/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-28-31-34-37-41-52(64)61-48(49(63)40-36-33-30-27-25-26-29-32-35-39-47(3)38-8-2)44-73-59-57(69)55(67)53(65)50(77-59)45-74-60-58(70)56(68)54(66)51(78-60)46-76-79(71,72)75-43-42-62(4,5)6/h36,40,47-51,53-60,63,65-70H,7-35,37-39,41-46H2,1-6H3,(H-,61,64,71,72)/p+1/b40-36+/t47?,48-,49+,50+,51+,53-,54-,55-,56-,57+,58+,59+,60+/m0/s1
InChI key:
DRBLSPYAMGHFNZ-OZNDCRLKSA-O
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCC(C)CCC
Systematic name (3):
N-[(1S,2R,3E)-1-[[[6-O-[6-O-[[2-(トリメチルアミニオ)エトキシ]ホスホニル]-β-D-ガラクトピラノシル]-β-D-ガラクトピラノシル]オキシ]メチル]-2-ヒドロキシ-14-メチル-3-ヘプタデセニル]テトラコサンアミド
{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(2R,3R,4S,5R,6R)-3,4,5-トリヒドロキシ-6-{[(2S,3R,4E)-3-ヒドロキシ-15-メチル-2-テトラコサンアミドオクタデカ-4-エン-1-イル]オキシ}オキサン-2-イル]メトキシ}オキサン-2-イル]メトキシ}[2-(トリメチルアザニウミル)エトキシ]ホスフィン酸
{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-{[(2S,3R,4E)-3-hydroxy-15-methyl-2-tetracosanamidooctadec-4-en-1-yl]oxy}oxan-2-yl]methoxy}oxan-2-yl]methoxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (1):
N-[(1S,2R,3E)-1-[[[6-O-[6-O-[[2-(Trimethylaminio)ethoxy]phosphonyl]-β-D-galactopyranosyl]-β-D-galactopyranosyl]oxy]methyl]-2-hydroxy-14-methyl-3-heptadecenyl]tetracosanamide
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