Chem
J-GLOBAL ID：200907078820826204   Nikkaji number：J435.263G

1-O-[3,4-Bis(palmitoyloxy)butylphosphonyl]-4-O-phosphono-L-myo-inositol

1-O-[3,4-ビス(パルミトイルオキシ)ブチルホスホニル]-4-O-ホスホノ-L-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： C42H82O15P2
Molecular formula furigana： C42-H82-O15-P2
Molecular weight： 889.051
InChI： InChI=1S/C42H82O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(43)54-33-34(55-36(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)31-32-58(49,50)56-41-37(45)39(47)42(40(48)38(41)46)57-59(51,52)53/h34,37-42,45-48H,3-33H2,1-2H3,(H,49,50)(H2,51,52,53)/t34?,37-,38-,39-,40+,41?,42+/m0/s1
InChI key： GIRSDAPBRLBEJI-CMPPJYFPSA-N
SMILES： CCCCCCCCCCCCCCCC(=O)OCC(CCP(=O)(O)OC1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC
Systematic name  (3)：
  • 1-O-[3,4-ビス(パルミトイルオキシ)ブチルホスホニル]-4-O-ホスホノ-L-myo-イノシトール
  • {[(1S,2R,3S,5S,6S)-4-({[3,4-ビス(ヘキサデカノイルオキシ)ブチル](ヒドロキシ)ホスホリル}オキシ)-2,3,5,6-テトラヒドロキシシクロヘキシル]オキシ}ホスホン酸
  • {[(1S,2R,3S,5S,6S)-4-({[3,4-bis(hexadecanoyloxy)butyl](hydroxy)phosphoryl}oxy)-2,3,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid
Other name (1)：
  • 1-O-[3,4-Bis(palmitoyloxy)butylphosphonyl]-4-O-phosphono-L-myo-inositol
Thsaurus map：
Thesaurus Map

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