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C17 sphingosine-1-phosphocholine

PropertiesImage
MNX_IDMNXM45089 Image of MNXM45089
referencechebi:184852
formulaC22H47N2O5P
global charge0
mol weight450.601
InChIKeyAAERQLSYRRXFMA-FYBNUODKSA-N
InChIInChI=1S/C22H47N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)21(23)20-29-30(26,27)28-19-18-24(2,3)4/h16-17,21-22,25H,5-15,18-20,23H2,1-4H3/b17-16+/t21-,22+/m0/s1
SMILESCCCCCCCCCCCC/C=C/[C@@H](O)[C@@H](N)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C22H47N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)21(23)20-29-30(26,27)28-19-18-24(2,3)4/h16-17,21-22,25H,5-15,18-20,23H2,1-4H3/b17-16+/t21-,22+/m0/s1 Image of MNXM45089
SMILES (mnx)[CH3:1][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]/[CH:16]=[CH:17]/[C@H:22]([C@H:21]([CH2:20][O:29][P:30](=[O:26])([O-:27])[O:28][CH2:19][CH2:18][N+:24]([CH3:2])([CH3:3])[CH3:4])[NH2:23])[OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:184852
chebi:184852
AAERQLSYRRXFMA-FYBNUODKSA-N 		C17 sphingosine-1-phosphocholine
[(E,2S,3R)-2-amino-3-hydroxyheptadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate

lipidmaps:LMSP01060003
lipidmapsM:LMSP01060003
AAERQLSYRRXFMA-FYBNUODKSA-N 		C17 sphingosine-1-phosphocholine
C17 lysosphingomyelin
LSM 17:1
LysoSM(d17:1)
O2
SM(d17:1/0:0)
heptadecasphing-4-enine-1-phosphocholine