Chem
J-GLOBAL ID：201007004323990227   Nikkaji number：J2.787.808C

PGL3b

コリンホスホリルネオガラトリオシルセラミド
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： C63H122N[N+]O21P
Molecular formula furigana： C63-H122-N2-O21-P
Molecular weight： 1274.635
InChI： InChI=1S/C63H121N2O21P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-51(67)64-46(47(66)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)42-79-61-58(74)55(71)52(68)48(84-61)43-80-62-59(75)56(72)53(69)49(85-62)44-81-63-60(76)57(73)54(70)50(86-63)45-83-87(77,78)82-41-40-65(3,4)5/h36,38,46-50,52-63,66,68-76H,6-35,37,39-45H2,1-5H3,(H-,64,67,77,78)/p+1/b38-36+/t46-,47+,48+,49+,50+,52-,53-,54-,55-,56-,57-,58+,59+,60+,61+,62+,63+/m0/s1
InChI key： NOMMSPDMDKUROE-YIMSBROXSA-O
SMILES： CCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO[C@@H]3O[C@H](COP(=O)(O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
Systematic name  (3)：
  • [(2S,3R,4E)-2-[(1-オキソドコシル)アミノ]-3-ヒドロキシ-4-オクタデセニル]6-O-[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]-β-D-ガラクトピラノシド
  • {[(2R,3R,4S,5R,6R)-6-{[(2R,3R,4S,5R,6R)-6-{[(2R,3R,4S,5R,6R)-6-{[(2S,3R,4E)-2-ドコサンアミド-3-ヒドロキシオクタデカ-4-エン-1-イル]オキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3,4,5-トリヒドロキシオキサン-2-イル]メトキシ}-3,4,5-トリヒドロキシオキサン-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)-6-{[(2R,3R,4S,5R,6R)-6-{[(2R,3R,4S,5R,6R)-6-{[(2S,3R,4E)-2-docosanamido-3-hydroxyoctadec-4-en-1-yl]oxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}-3,4,5-trihydroxyoxan-2-yl]methoxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid
Other name (4)：
  • [(2S,3R,4E)-2-[(1-Oxodocosyl)amino]-3-hydroxy-4-octadecenyl]6-O-[6-O-[6-O-[2-(trimethylaminio)ethoxyphosphonyl]-β-D-galactopyranosyl]-β-D-galactopyranosyl]-β-D-galactopyranoside
  • Cholinephosphorylneogalatriaosylceramide
  • PGL3b
  • コリンホスホリルネオガラトリオシルセラミド
KEGG COMPOUND： C13938
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