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sphing-4-enine-phosphocholine

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104253

	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	7

formula

C₂₃H₅₀N₂O₅P

charge

mass

465.34519

reference

chebi:58906

InChIKey

JLVSPVFPBBFMBE-HXSWCURESA-O

InChI

InChI=1S/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1/b18-17+/t22-,23+/m0/s1

SMILES

CCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H]([NH3+])COP(=O)([O-])OCC[N+](C)(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58906 chebi:58906	sphing-4-enine-phosphocholine (2S,3R,4E)-2-azaniumyl-3-hydroxyoctadec-4-en-1-yl 2-(trimethylazaniumyl)ethyl phosphate sphingosine-1-phosphocholine(1+) sphingosylphosphorylcholine(1+)
hmdb:HMDB0006482	LysoSM(d18:1) C18-Sphingosine phosphocholine D-Erythro-sphingosylphosphorylcholine Lysosphingomyelin SM(D18:1/0:0) Sphing-4-enine-1-phosphocholine Sphingenyl-1-phosphorylcholine Sphingomyelin(D18:1/0:0) Sphingosine phosphorylcholine Sphingosyl-phosphocholine Sphingosylphosphocholine Sphingosylphosphorylcholine lysosphingomyelin {[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}[2-(trimethylazaniumyl)ethoxy]phosphinic acid
lipidmaps:LMSP01060001 lipidmapsM:LMSP01060001	Sphingosine-1-phosphocholine LSM 18:1 O2 SM(d18:1/0:0) Sphing-4-enine-1-phosphocholine
kegg.compound:C03640 keggC:C03640	Sphingosyl-phosphocholine
sabiork.compound:6757 sabiorkM:6757	Sphingosyl-phosphocholine Lysosphingomyelin Sphingosylphosphorylcholine
seed.compound:cpd02284 seedM:cpd02284	Sphingosyl-phosphocholine sphingosyl-phosphocholine sphingosylphosphorylcholine
bigg.metabolite:spc_hs biggM:spc_hs	Sphingosylphosphorylcholine (homo sapiens)
CHEBI:17689 chebi:17689	sphingosine-1-phosphocholine (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl 2-(trimethylammonio)ethyl phosphate sphing-4-enine-1-phosphocholine sphingosylphosphocholine betaine sphingosylphosphorylcholine
CHEBI:52897 chebi:52897	sphingosylphosphocholine acid 2-{[{[(2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium Sphing-4-enine-1-phosphocholine Sphingosyl-phosphocholine sphingosylphosphocholine
metacyc.compound:CPD-481 metacycM:CPD-481	sphingosylphosphorylcholine sphingosyl-phosphocholine
hmdb:HMDB0012083 hmdb:HMDB06482 hmdb:HMDB12083 chebi:15103 chebi:26744 chebi:9226 biggM:M_spc_hs keggC:M_C03640 seedM:M_cpd02284	secondary/obsolete/fantasy identifier