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1-(11-methyldodecanoyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM186788 Image of MNXM186788
referenceslm:000030527
formulaC56H102NO8P
global charge0
mol weight948.405
InChIKeyHUAJNRBXDTUCAW-YZDUZFMFSA-N
InChIInChI=1S/C56H102NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-38-42-45-48-56(59)65-54(52-64-66(60,61)63-50-49-57)51-62-55(58)47-44-41-39-36-37-40-43-46-53(2)3/h5-6,8-9,11-12,14-15,17-18,53-54H,4,7,10,13,16,19-52,57H2,1-3H3,(H,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-/t54-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])OCC[NH3+]
MNX internals
InChI (mnx)InChI=1/C56H102NO8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-38-42-45-48-56(59)65-54(52-64-66(60,61)63-50-49-57)51-62-55(58)47-44-41-39-36-37-40-43-46-53(2)3/h5-6,8-9,11-12,14-15,17-18,53-54H,4,7,10,13,16,19-52,57H2,1-3H3,(H,60,61)/b6-5-,9-8-,12-11-,15-14-,18-17-/t54-/m1/s1 Image of MNXM186788
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:38][CH2:42][CH2:45][CH2:48][C:56](=[O:59])[O:65][C@H:54]([CH2:51][O:62][C:55]([CH2:47][CH2:44][CH2:41][CH2:39][CH2:36][CH2:37][CH2:40][CH2:43][CH2:46][CH:53]([CH3:2])[CH3:3])=[O:58])[CH2:52][O:64][P:66]([OH:60])(=[O:61])[O:63][CH2:50][CH2:49][NH2:57]
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:000030527
slm:000030527
HUAJNRBXDTUCAW-YZDUZFMFSA-N
1-(11-methyldodecanoyl)-2-(23Z,26Z,29Z,32Z,35Z-octatriacontapentaenoyl)-sn-glycero-3-phosphoethanolamine
PE(13:0/38:5(23Z,26Z,29Z,32Z,35Z))
Phosphatidylethanolamine (13:0/38:5(23Z,26Z,29Z,32Z,35Z))