Cholinephosphorylneogalatriaosylceramide

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(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/fC63H122N2O21P/h64,77H/q+1

InChIKey: InChIKey=NOMMSPDMDKUROE-CDKVHXRNDV
SMILES: CCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)COC2C(C(C(C(O2)COC3C(C(C(C(O3)COP(=O)(O)OCC[N+](C)(C)C)O)O)O)O)O)O)O)O)O)C(C=CCCCCCCCCCCCCC)O

Names:
    Cholinephosphorylneogalatriaosylceramide
    C13938
    PGL3b
    2-[[(2R,3R,4S,5R,6R)-6-[[(2R,3R,4S,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]-3,4,5-trihydroxy-oxan-2-yl]methoxy]-3,4,5-trihydroxy-oxan-2-yl]methoxy-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium

Registries:
    PubChem CID 11954018
    PubChem ID 854182