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1-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM193286 Image of MNXM193286
referenceslm:000008163
formulaC54H94NO8P
global charge0
mol weight916.319
InChIKeyAJHLDSZGEMQPTC-NHTZZPNYSA-N
InChIInChI=1S/C54H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-30-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25-26,28-29,52H,6-7,9,11-13,18-19,24,27,30-51H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-/t52-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
MNX internals
InChI (mnx)InChI=1/C54H94NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-31-32-34-36-38-40-42-44-46-53(56)60-50-52(51-62-64(58,59)61-49-48-55(3,4)5)63-54(57)47-45-43-41-39-37-35-33-30-23-21-19-17-15-13-11-9-7-2/h8,10,14-17,20-23,25-26,28-29,52H,6-7,9,11-13,18-19,24,27,30-51H2,1-5H3/b10-8-,16-14-,17-15-,22-20-,23-21-,26-25-,29-28-/t52-/m1/s1 Image of MNXM193286
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:14]=[CH:16]\[CH2:18]/[CH:20]=[CH:22]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27]/[CH:28]=[CH:29]\[CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][C:53](=[O:56])[O:60][CH2:50][C@H:52]([CH2:51][O:62][P:64](=[O:58])([O-:59])[O:61][CH2:49][CH2:48][N+:55]([CH3:3])([CH3:4])[CH3:5])[O:63][C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33][CH2:30]/[CH:23]=[CH:21]\[CH2:19]/[CH:17]=[CH:15]\[CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:57]
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:000008163
slm:000008163
AJHLDSZGEMQPTC-NHTZZPNYSA-N
1-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-2-(11Z,14Z-eicosadienoyl)-sn-glycero-3-phosphocholine
PC(26:5(11Z,14Z,17Z,20Z,23Z)/20:2(11Z,14Z))
Phosphatidylcholine (26:5(11Z,14Z,17Z,20Z,23Z)/20:2(11Z,14Z))