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1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM232416 Image of MNXM232416
referenceslm:000009430
formulaC56H102NO8P
global charge0
mol weight948.405
InChIKeyBZEIHWHDVLVTAZ-SXRYGTMDSA-N
InChIInChI=1S/C56H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-34-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,27-28,54H,6-13,15,18,21,23,26,29-53H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,28-27-/t54-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC
MNX internals
InChI (mnx)InChI=1/C56H102NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-28-29-30-31-32-33-35-36-38-40-42-44-46-48-55(58)62-52-54(53-64-66(60,61)63-51-50-57(3,4)5)65-56(59)49-47-45-43-41-39-37-34-21-19-17-15-13-11-9-7-2/h14,16-17,19-20,22,24-25,27-28,54H,6-13,15,18,21,23,26,29-53H2,1-5H3/b16-14-,19-17-,22-20-,25-24-,28-27-/t54-/m1/s1 Image of MNXM232416
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26]/[CH:27]=[CH:28]\[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:35][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:55](=[O:58])[O:62][CH2:52][C@H:54]([CH2:53][O:64][P:66](=[O:60])([O-:61])[O:63][CH2:51][CH2:50][N+:57]([CH3:3])([CH3:4])[CH3:5])[O:65][C:56]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:34][CH2:21]/[CH:19]=[CH:17]\[CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:59]
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:000009430
slm:000009430
BZEIHWHDVLVTAZ-SXRYGTMDSA-N
1-(15Z,18Z,21Z,24Z-triacontatetraenoyl)-2-(11Z-octadecenoyl)-sn-glycero-3-phosphocholine
PC(30:4(15Z,18Z,21Z,24Z)/18:1(11Z))
Phosphatidylcholine (30:4(15Z,18Z,21Z,24Z)/18:1(11Z))