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1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-pentadecanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM180643 Image of MNXM180643
referenceslm:000007834
formulaC51H90NO8P
global charge0
mol weight876.254
InChIKeyOTKQJUWRUDBLSD-DGFOUSLFSA-N
InChIInChI=1S/C51H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3,4)5)60-51(54)44-42-40-38-36-33-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26-27,29-30,49H,6-7,9,11-13,15,17-19,22,25,28,31-48H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-/t49-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C51H90NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-34-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52(3,4)5)60-51(54)44-42-40-38-36-33-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,26-27,29-30,49H,6-7,9,11-13,15,17-19,22,25,28,31-48H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,27-26-,30-29-/t49-/m1/s1 Image of MNXM180643
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:34][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][CH2:33][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:000007834
slm:000007834
OTKQJUWRUDBLSD-DGFOUSLFSA-N
1-(10Z,13Z,16Z,19Z,22Z,25Z-octacosahexaenoyl)-2-pentadecanoyl-sn-glycero-3-phosphocholine
PC(28:6(10Z,13Z,16Z,19Z,22Z,25Z)/15:0)
Phosphatidylcholine (28:6(10Z,13Z,16Z,19Z,22Z,25Z)/15:0)