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1-(10Z,13Z,16Z-docosatrienoyl)-2-tetracosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM185386 Image of MNXM185386
referenceslm:000007994
formulaC54H102NO8P
global charge0
mol weight924.383
InChIKeyURQICYUDENVEJF-OZIJSSDCSA-N
InChIInChI=1S/C54H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,52H,6-14,16,18-20,22,24-27,29,31-51H2,1-5H3/b17-15-,23-21-,30-28-/t52-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C54H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-29-31-33-35-37-39-41-43-45-47-54(57)63-52(51-62-64(58,59)61-49-48-55(3,4)5)50-60-53(56)46-44-42-40-38-36-34-32-30-28-25-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,28,30,52H,6-14,16,18-20,22,24-27,29,31-51H2,1-5H3/b17-15-,23-21-,30-28-/t52-/m1/s1 Image of MNXM185386
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][CH2:22][CH2:24][CH2:26][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][C:54](=[O:57])[O:63][C@H:52]([CH2:50][O:60][C:53]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:30]=[CH:28]\[CH2:25]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:56])[CH2:51][O:62][P:64](=[O:58])([O-:59])[O:61][CH2:49][CH2:48][N+:55]([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

SLM:000007994
slm:000007994
URQICYUDENVEJF-OZIJSSDCSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-tetracosanoyl-sn-glycero-3-phosphocholine
PC(22:3(10Z,13Z,16Z)/24:0)
Phosphatidylcholine (22:3(10Z,13Z,16Z)/24:0)