Chem
J-GLOBAL ID：200907080452102181   Nikkaji number：J435.262I

2-(Methylamino)ethylphosphonic acid [[1-O-[(2R,3R)-2-(oleoylamino)-3-hydroxy-4-octadecenoyl]-6-deoxy-β-D-galactopyranos]-6-yl] ester

2-(メチルアミノ)エチルホスホン酸[[1-O-[(2R,3R)-2-(オレオイルアミノ)-3-ヒドロキシ-4-オクタデセノイル]-6-デオキシ-β-D-ガラクトピラノース]-6-イル]
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： C45H85N2O11P
Molecular formula furigana： C45-H85-N2-O11-P
Molecular weight： 861.152
InChI： InChI=1S/C45H85N2O11P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-39(49)47-40(37(48)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)44(53)58-45-43(52)42(51)41(50)38(57-45)36-56-59(54,55)35-34-46-3/h18-19,30,32,37-38,40-43,45-46,48,50-52H,4-17,20-29,31,33-36H2,1-3H3,(H,47,49)(H,54,55)/b19-18-,32-30?/t37-,38-,40-,41+,42+,43-,45+/m1/s1
InChI key： SWLHQNLASIYOCB-OOSUAOSWSA-N
SMILES： CCCCCCCCCCCCCC=C[C@@H](O)[C@@H](NC(=O)CCCCCCC/C=C\CCCCCCCC)C(=O)O[C@@H]1O[C@H](COP(=O)(O)CCNC)[C@H](O)[C@H](O)[C@H]1O
Systematic name  (3)：
  • 2-(メチルアミノ)エチルホスホン酸[[1-O-[(2R,3R)-2-(オレオイルアミノ)-3-ヒドロキシ-4-オクタデセノイル]-6-デオキシ-β-D-ガラクトピラノース]-6-イル]
  • [2-(メチルアミノ)エチル]({[(2R,3R,4S,5R,6S)-3,4,5-トリヒドロキシ-6-{[(2R,3R)-3-ヒドロキシ-2-[(9Z)-オクタデカ-9-エンアミド]オクタデカ-4-エノイル]オキシ}オキサン-2-イル]メトキシ})ホスフィン酸
  • [2-(methylamino)ethyl]({[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2R,3R)-3-hydroxy-2-[(9Z)-octadec-9-enamido]octadec-4-enoyl]oxy}oxan-2-yl]methoxy})phosphinic acid
Other name (1)：
  • 2-(Methylamino)ethylphosphonic acid [[1-O-[(2R,3R)-2-(oleoylamino)-3-hydroxy-4-octadecenoyl]-6-deoxy-β-D-galactopyranos]-6-yl] ester
Thsaurus map：
Thesaurus Map

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