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

PropertiesImage
MNX_IDMNXM1104861 Image of MNXM1104861
referencechebi:83358
formulaC41H83N2O6P
global charge0
mol weight731.097
InChIKeyLKQLRGMMMAHREN-YJFXYUILSA-N
InChIInChI=1S/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](COP(=O)([O-])OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H83N2O6P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-41(45)42-39(38-49-50(46,47)48-37-36-43(3,4)5)40(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h32,34,39-40,44H,6-31,33,35-38H2,1-5H3,(H-,42,45,46,47)/b34-32+/t39-,40+/m0/s1 Image of MNXM1104861
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][C:41](=[N:42][C@@H:39]([CH2:38][O:49][P:50]([O-:46])(=[O:47])[O:48][CH2:37][CH2:36][N+:43]([CH3:3])([CH3:4])[CH3:5])[C@@H:40](/[CH:34]=[CH:32]/[CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[OH:44])[OH:45]
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:83358
chebi:83358
LKQLRGMMMAHREN-YJFXYUILSA-N 		N-(octadecanoyl)-sphing-4-enine-1-phosphocholine
(2S,3R,4E)-3-hydroxy-2-(octadecanoylamino)octadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate
(2S,3R,4E)-3-hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
2,3-(N-Steroylsphingosyl)-1-phosphocholine
2,3-Sppc
C18 Sphingomyelin
N-octadecanoylsphing-4-enine-1-phosphocholine
N-octadecanoylsphingosine-1-phosphocholine
N-stearoylsphing-4-enine-1-phosphocholine
N-stearoylsphingosine-1-phosphocholine
SM(d18:1/18:0)
sphingomyelin (d18:1/18:0)
stearoyl sphingomyelin

SLM:000395267
slm:000395267
LKQLRGMMMAHREN-YJFXYUILSA-N 		N-(octadecanoyl)-sphing-4-enine-1-phosphocholine
SM(d18:1(4E)/18:0)
Sphingomyelin (d18:1(4E)/18:0)
hmdb:HMDB0001348
LKQLRGMMMAHREN-YJFXYUILSA-N 		SM(d18:1/18:0)
(2-{[(2S,3R,4E)-3-hydroxy-2-octadecanamidooctadec-4-en-1-yl phosphono]oxy}ethyl)trimethylazanium
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate
(2S,3R,4E)-3-Hydroxy-2-(stearoylamino)octadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphoric acid
2,3-(N-Steroylsphingosyl)-1-phosphocholine
2,3-SPPC
C18 Sphingomyelin
C18-Sphingomyelin
N-(Octadecanoyl)-1-phosphocholine-4-sphingenine
N-(Octadecanoyl)-1-phosphocholine-D-erythro-sphingosine
N-(Octadecanoyl)-1-phosphocholine-D-sphingosine
N-(Octadecanoyl)-1-phosphocholine-erythro-4-sphingenine
N-(Octadecanoyl)-1-phosphocholine-sphing-4-enine
N-(Octadecanoyl)-1-phosphocholine-sphingenine
N-(Octadecanoyl)-1-phosphocholine-sphingosine
N-(Octadecanoyl)-sphing-4-enine-1-phosphocholine
N-Octadecanoylsphing-4-enine-1-phosphocholine
N-Octadecanoylsphingosine-1-phosphocholine
N-Stearoyl-D-erythro-sphingosylphosphorylcholine
N-Stearoylsphing-4-enine-1-phosphocholine
N-Stearoylsphingomyelin
N-Stearoylsphingosine-1-phosphocholine
SM(D18:1/18:0)
Sphingomyelin
Sphingomyelin (D18:1/18:0)
Sphingomyelin 18:0
Sphingomyelin(D18:1/18:0)
Stearoyl sphingomyelin
Stearoylsphingomyelin

lipidmaps:LMSP03010001
lipidmapsM:LMSP03010001
LKQLRGMMMAHREN-YJFXYUILSA-N 		SM(d18:1/18:0)
C18 Sphingomyelin
N-(octadecanoyl)-sphing-4-enine-1-phosphocholine
O2
SM 36:1

hmdb:HMDB0012099
hmdb:HMDB0062559
hmdb:HMDB01348
hmdb:HMDB12099
hmdb:HMDB62559 		secondary/obsolete/fantasy identifier