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1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70954 Image of MNXM70954
referencechebi:86450
formulaC50H98NO7P
global charge0
mol weight856.308
InChIKeySANJRNZKPWGLEP-FPOWPXLSSA-N
InChIInChI=1S/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,49H,6-13,15,17-19,21,23-48H2,1-5H3/b16-14-,22-20-/t49-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C50H98NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-50(52)58-49(48-57-59(53,54)56-46-44-51(3,4)5)47-55-45-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,49H,6-13,15,17-19,21,23-48H2,1-5H3/b16-14-,22-20-/t49-/m1/s1 Image of MNXM70954
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[O:52])[O:58][C@H:49]([CH2:47][O:55][CH2:45][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])[CH2:48][O:57][P:59](=[O:53])([O-:54])[O:56][CH2:46][CH2:44][N+:51]([CH3:3])([CH3:4])[CH3:5]
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:86450
chebi:86450
SANJRNZKPWGLEP-FPOWPXLSSA-N 		1-icosyl-2-[(13Z,16Z)-docosadienoyl]-sn-glycero-3-phosphocholine
(2R)-2-{[(13Z,16Z)-docosa-13,16-dienoyl]oxy}-3-(icosyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
1-eicosyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholine
PC(O-20:0/22:2(13Z,16Z))

SLM:000027962
slm:000027962
SANJRNZKPWGLEP-FPOWPXLSSA-N 		1-O-eicosyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine
1-eicosyl-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphocholine
PC(O-20:0/22:2(13Z,16Z))
Phosphatidylcholine (O-20:0/22:2(13Z,16Z))

lipidmaps:LMGP01020242
lipidmapsM:LMGP01020242
SANJRNZKPWGLEP-FPOWPXLSSA-N 		PC(O-20:0/22:2(13Z,16Z))
1-eicosyl-2-(13Z,16Z-docosadienoyl)-glycero-3-phosphocholine
PC O-42:2
PC(O-20:0/22:2)
PC(O-42:2)