Chem
J-GLOBAL ID：201007098123588313   Nikkaji number：J2.787.089I

sn-Caldarchaeo-1-phosphoethanolamine

sn-カルダルケオ-1-ホスホエタノールアミン
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： C88H178NO9P
Molecular formula furigana： C88-H178-N-O9-P
Molecular weight： 1425.364
InChI： InChI=1S/C88H178NO9P/c1-71-29-17-33-75(5)41-25-49-83(13)57-62-93-68-87(67-90)95-64-59-85(15)51-27-43-77(7)35-19-31-73(3)39-23-47-81(11)55-53-80(10)46-22-38-72(2)30-18-34-76(6)42-26-50-84(14)58-63-94-69-88(70-98-99(91,92)97-66-61-89)96-65-60-86(16)52-28-44-78(8)36-20-32-74(4)40-24-48-82(12)56-54-79(9)45-21-37-71/h71-88,90H,17-70,89H2,1-16H3,(H,91,92)/t71-,72-,73-,74-,75+,76+,77+,78+,79-,80-,81-,82-,83+,84+,85+,86+,87?,88?/m1/s1
InChI key： ZJNYDPNHEYDDCA-WXJHYWCZSA-N
SMILES： C[C@H]1CCC[C@@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC(COP(=O)(O)OCCN)COCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC(CO)COCC[C@@H](C)CCC1
Systematic name  (3)：
  • りん酸[(6S,10S,14R,18R,21R,25R,29S,33S,42S,46S,50R,54R,57R,61R,65S,69S)-37-(ヒドロキシメチル)-6,10,14,18,21,25,29,33,42,46,50,54,57,61,65,69-ヘキサデカメチル-3,36,39,72-テトラオキサシクロドヘプタコンタン-1-イル]メチル2-アミノエチル
  • (2-アミノエトキシ)({[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(ヒドロキシメチル)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-ヘキサデカメチル-1,4,37,40-テトラオキサシクロドヘプタコンタン-2-イル]メトキシ})ホスフィン酸
  • (2-aminoethoxy)({[(7S,11S,15R,19R,22R,26R,30S,34S,43S,47S,51R,55R,58R,62R,66S,70S)-38-(hydroxymethyl)-7,11,15,19,22,26,30,34,43,47,51,55,58,62,66,70-hexadecamethyl-1,4,37,40-tetraoxacyclodoheptacontan-2-yl]methoxy})phosphinic acid
Other name (3)：
  • Phosphoric acid [(6S,10S,14R,18R,21R,25R,29S,33S,42S,46S,50R,54R,57R,61R,65S,69S)-37-(hydroxymethyl)-6,10,14,18,21,25,29,33,42,46,50,54,57,61,65,69-hexadecamethyl-3,36,39,72-tetraoxacyclodoheptacontane-1-yl]methyl 2-aminoethyl ester
  • sn-Caldarchaeo-1-phosphoethanolamine
  • sn-カルダルケオ-1-ホスホエタノールアミン
KEGG COMPOUND： C13896
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