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1-(13Z,16Z-docosadienoyl)-2-heneicosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM70478 Image of MNXM70478
referenceslm:000009089
formulaC51H98NO8P
global charge0
mol weight884.318
InChIKeyZBWXKWPMDIVZBD-FPOWPXLSSA-N
InChIInChI=1S/C51H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3,4)5)60-51(54)44-42-40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-7-2/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)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H98NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-29-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3,4)5)60-51(54)44-42-40-38-36-34-32-30-27-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,49H,6-13,15,17-19,21,23-48H2,1-5H3/b16-14-,22-20-/t49-/m1/s1 Image of MNXM70478
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][CH2:28][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][C:50](=[O:53])[O:57][CH2:47][C@H:49]([CH2:48][O:59][P:61](=[O:55])([O-:56])[O:58][CH2:46][CH2:45][N+:52]([CH3:3])([CH3:4])[CH3:5])[O:60][C:51]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:54]
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:000009089
slm:000009089
ZBWXKWPMDIVZBD-FPOWPXLSSA-N
1-(13Z,16Z-docosadienoyl)-2-heneicosanoyl-sn-glycero-3-phosphocholine
PC(22:2(13Z,16Z)/21:0)
Phosphatidylcholine (22:2(13Z,16Z)/21:0)

lipidmaps:LMGP01012060
lipidmapsM:LMGP01012060
ZBWXKWPMDIVZBD-FPOWPXLSSA-N
PC(22:2(13Z,16Z)/21:0)
1-(13Z,16Z-docosadienoyl)-2-heneicosanoyl-glycero-3-phosphocholine
PC 43:2
PC(21:0_22:2)
PC(43:2)