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1-(10Z,13Z,16Z-docosatrienoyl)-2-(15-methylhexadecanoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM182671 Image of MNXM182671
referenceslm:000007937
formulaC47H88NO8P
global charge0
mol weight826.194
InChIKeyMUAHCQDGYHXKGN-XNGXUYABSA-N
InChIInChI=1S/C47H88NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-38-46(49)53-42-45(43-55-57(51,52)54-41-40-48(4,5)6)56-47(50)39-36-33-30-27-24-21-22-25-28-31-34-37-44(2)3/h11-12,14-15,17-18,44-45H,7-10,13,16,19-43H2,1-6H3/b12-11-,15-14-,18-17-/t45-/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)CCCCCCCCCCCCCC(C)C
MNX internals
InChI (mnx)InChI=1/C47H88NO8P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-29-32-35-38-46(49)53-42-45(43-55-57(51,52)54-41-40-48(4,5)6)56-47(50)39-36-33-30-27-24-21-22-25-28-31-34-37-44(2)3/h11-12,14-15,17-18,44-45H,7-10,13,16,19-43H2,1-6H3/b12-11-,15-14-,18-17-/t45-/m1/s1 Image of MNXM182671
SMILES (mnx)[CH3:1][CH2:7][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:23][CH2:26][CH2:29][CH2:32][CH2:35][CH2:38][C:46](=[O:49])[O:53][CH2:42][C@H:45]([CH2:43][O:55][P:57](=[O:51])([O-:52])[O:54][CH2:41][CH2:40][N+:48]([CH3:4])([CH3:5])[CH3:6])[O:56][C:47]([CH2:39][CH2:36][CH2:33][CH2:30][CH2:27][CH2:24][CH2:21][CH2:22][CH2:25][CH2:28][CH2:31][CH2:34][CH2:37][CH:44]([CH3:2])[CH3:3])=[O:50]
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:000007937
slm:000007937
MUAHCQDGYHXKGN-XNGXUYABSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-(15-methylhexadecanoyl)-sn-glycero-3-phosphocholine
PC(22:3(10Z,13Z,16Z)/17:0)
Phosphatidylcholine (22:3(10Z,13Z,16Z)/17:0)