Cholinephosphorylmannosylneogalabiaosylceramide

Molecular Formula: C₆₃H₁₂₂N₂O₂₁P⁺

InChI: InChI=1/C63H121N2O21P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-51(68)64-46(47(67)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2)43-79-61-57(74)55(72)53(70)49(84-61)44-80-62-59(76)56(73)60(86-63-58(75)54(71)52(69)48(42-66)83-63)50(85-62)45-82-87(77,78)81-41-40-65(3,4)5/h36,38,46-50,52-63,66-67,69-76H,6-35,37,39-45H2,1-5H3,(H-,64,68,77,78)/p+1/b38-36+/t46-,47+,48+,49+,50+,52+,53-,54-,55-,56+,57+,58-,59+,60-,61+,62+,63+/m0/s1/fC63H122N2O21P/h64,77H/q+1

InChIKey: InChIKey=UNKZFZXETDVKBY-HRUXOOCWDQ
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)COP(=O)(O)OCC[N+](C)(C)C)OC3C(C(C(C(O3)CO)O)O)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Names:
    Cholinephosphorylmannosylneogalabiaosylceramide
    C13937
    PGL3a
    2-[[(2R,3R,4R,5R,6R)-6-[[(2R,3R,4S,5R,6R)-6-[(E,2S,3R)-2-(docosanoylamino)-3-hydroxy-octadec-4-enoxy]-3,4,5-trihydroxy-oxan-2-yl]methoxy]-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium

Registries:
    PubChem CID 11954017
    PubChem ID 854181