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N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine

PropertiesImage
MNX_IDMNXM82265 Image of MNXM82265
referencechebi:83360
formulaC47H95N2O6P
global charge0
mol weight815.259
InChIKeyQEDPUVGSSDPBMD-XTAIVQBESA-N
InChIInChI=1S/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45-,46+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C47H95N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-47(51)48-45(44-55-56(52,53)54-43-42-49(3,4)5)46(50)40-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h38,40,45-46,50H,6-37,39,41-44H2,1-5H3,(H-,48,51,52,53)/b40-38+/t45-,46+/m0/s1 Image of MNXM82265
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][C:47](=[N:48][C@@H:45]([CH2:44][O:55][P:56]([O-:52])(=[O:53])[O:54][CH2:43][CH2:42][N+:49]([CH3:3])([CH3:4])[CH3:5])[C@@H:46](/[CH:40]=[CH:38]/[CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:50])[OH:51]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83360
chebi:83360
QEDPUVGSSDPBMD-XTAIVQBESA-N 		N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine
(2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
(2S,3R,4E)-3-hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
C24 Sphingomyelin
N-lignoceroylsphing-4-enine-1-phosphocholine
N-lignoceroylsphingosine-1-phosphocholine
N-tetracosanoylsphing-4-enine-1-phosphocholine
N-tetracosanoylsphingosine-1-phosphocholine
SM(d18:1/24:0)
SPH(d18:1/24:0)
sphingomyelin (d18:1/24:0)

CHEBI:184361
chebi:184361
QEDPUVGSSDPBMD-XTAIVQBESA-O 		(2-{[hydroxy({[(2S,3R,4E)-3-hydroxy-2-[(1-hydroxytetracosylidene)amino]octadec-4-en-1-yl]oxy})phosphoryl]oxy}ethyl)trimethylazanium
2-[hydroxy-[(E,2S,3R)-3-hydroxy-2-(tetracosanoylamino)octadec-4-enoxy]phosphoryl]oxyethyl-trimethylazanium

SLM:000395271
slm:000395271
QEDPUVGSSDPBMD-XTAIVQBESA-N 		N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine
SM(d18:1(4E)/24:0)
Sphingomyelin (d18:1(4E)/24:0)
hmdb:HMDB0011697
QEDPUVGSSDPBMD-XTAIVQBESA-N 		SM(d18:1/24:0)
(2-{[(2S,3R,4E)-3-hydroxy-2-tetracosanamidooctadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium
(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
(2S,3R,4E)-3-Hydroxy-2-(tetracosanoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphoric acid
24:0 Sphingomyelin
C24 Sphingomyelin
C24-Sphingomyelin
Lignoceroyl sphingomyelin
N-(Tetracosanoyl)-sphing-4-enine-1-phosphocholine
N-Lignoceroylsphing-4-enine-1-phosphocholine
N-Tetracosanoylsphing-4-enine-1-phosphocholine
N-Tetracosanoylsphingosine-1-phosphocholine
SM d18:1/24:0
SPH(d18:1/24:0)
Sphingomyelin (d18:1,C24:0)
Sphingomyelin (d18:1/24:0)
Sphingomyelin C24:0
Tetracosanoyl sphingomyelin

lipidmaps:LMSP03010008
lipidmapsM:LMSP03010008
QEDPUVGSSDPBMD-XTAIVQBESA-N 		SM(d18:1/24:0)
C24 Sphingomyelin
N-(tetracosanoyl)-sphing-4-enine-1-phosphocholine
O2
SM 42:1

hmdb:HMDB0012106
hmdb:HMDB11697
hmdb:HMDB12106
chebi:85596 		secondary/obsolete/fantasy identifier