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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-docosanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM217853 Image of MNXM217853
referenceslm:000009007
formulaC58H108NO8P
global charge0
mol weight978.475
InChIKeyFZUOCPJAIHTOLI-JZWKHEGYSA-N
InChIInChI=1S/C58H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45-43-41-39-37-35-32-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26-27,29-30,56H,6-13,15,17-19,21,23-25,28,31-55H2,1-5H3/b16-14-,22-20-,27-26-,30-29-/t56-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C58H108NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-27-28-29-30-31-33-34-36-38-40-42-44-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45-43-41-39-37-35-32-25-23-21-19-17-15-13-11-9-7-2/h14,16,20,22,26-27,29-30,56H,6-13,15,17-19,21,23-25,28,31-55H2,1-5H3/b16-14-,22-20-,27-26-,30-29-/t56-/m1/s1 Image of MNXM217853
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:26]=[CH:27]\[CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:57](=[O:60])[O:64][CH2:54][C@H:56]([CH2:55][O:66][P:68](=[O:62])([O-:63])[O:65][CH2:53][CH2:52][N+:59]([CH3:3])([CH3:4])[CH3:5])[O:67][C:58]([CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:32][CH2:25][CH2:23][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:61]
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:000009007
slm:000009007
FZUOCPJAIHTOLI-JZWKHEGYSA-N
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-docosanoyl-sn-glycero-3-phosphocholine
PC(28:4(13Z,16Z,19Z,22Z)/22:0)
Phosphatidylcholine (28:4(13Z,16Z,19Z,22Z)/22:0)