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1-(9Z-tetradecenoyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM336388 Image of MNXM336388
referenceslm:000012368
formulaC56H100NO8P
global charge0
mol weight946.389
InChIKeyOMPUESJZYDDUSB-ZGNKTIGWSA-N
InChIInChI=1S/C56H100NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25-26,54H,6-7,9,11-12,17-18,21,24,27-53H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,26-25-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C56H100NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-41-43-45-47-49-56(59)65-54(53-64-66(60,61)63-51-50-57(3,4)5)52-62-55(58)48-46-44-42-40-38-17-15-13-11-9-7-2/h8,10,13-16,19-20,22-23,25-26,54H,6-7,9,11-12,17-18,21,24,27-53H2,1-5H3/b10-8-,15-13-,16-14-,20-19-,23-22-,26-25-/t54-/m1/s1 Image of MNXM336388
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][CH2:47][CH2:49][C:56](=[O:59])[O:65][C@H:54]([CH2:52][O:62][C:55]([CH2:48][CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:17]/[CH:15]=[CH:13]\[CH2:11][CH2:9][CH2:7][CH3:2])=[O:58])[CH2:53][O:64][P:66](=[O:60])([O-:61])[O:63][CH2:51][CH2:50][N+:57]([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:000012368
slm:000012368
OMPUESJZYDDUSB-ZGNKTIGWSA-N
1-(9Z-tetradecenoyl)-2-(19Z,22Z,25Z,28Z,31Z-tetratriacontapentaenoyl)-sn-glycero-3-phosphocholine
PC(14:1(9Z)/34:5(19Z,22Z,25Z,28Z,31Z))
Phosphatidylcholine (14:1(9Z)/34:5(19Z,22Z,25Z,28Z,31Z))