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1-(10Z,13Z,16Z-docosatrienoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM184264 Image of MNXM184264
referenceslm:000007972
formulaC46H82NO8P
global charge0
mol weight808.135
InChIKeyYAFIYOSNJYDSAU-YCKHSSARSA-N
InChIInChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h11,13-14,16-17,19-21,23-24,44H,6-10,12,15,18,22,25-43H2,1-5H3/b13-11-,16-14-,19-17-,21-20-,24-23-/t44-/m1/s1
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-45(48)52-42-44(43-54-56(50,51)53-41-40-47(3,4)5)55-46(49)39-37-35-33-31-29-26-19-17-15-13-11-9-7-2/h11,13-14,16-17,19-21,23-24,44H,6-10,12,15,18,22,25-43H2,1-5H3/b13-11-,16-14-,19-17-,21-20-,24-23-/t44-/m1/s1 Image of MNXM184264
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][C:45](=[O:48])[O:52][CH2:42][C@H:44]([CH2:43][O:54][P:56](=[O:50])([O-:51])[O:53][CH2:41][CH2:40][N+:47]([CH3:3])([CH3:4])[CH3:5])[O:55][C:46]([CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:26]/[CH:19]=[CH:17]\[CH2:15]/[CH:13]=[CH:11]\[CH2:9][CH2:7][CH3:2])=[O:49]
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:000007972
slm:000007972
YAFIYOSNJYDSAU-YCKHSSARSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3-phosphocholine
PC(22:3(10Z,13Z,16Z)/16:2(9Z,12Z))
Phosphatidylcholine (22:3(10Z,13Z,16Z)/16:2(9Z,12Z))