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1-(10Z,13Z,16Z-docosatrienoyl)-2-octacosanoyl-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM185164 Image of MNXM185164
referenceslm:000030408
formulaC55H104NO8P
global charge0
mol weight938.41
InChIKeyUVHWUDMSUKUHFS-HKDMQZSXSA-N
InChIInChI=1S/C55H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-55(58)64-53(52-63-65(59,60)62-50-49-56)51-61-54(57)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,29,31,53H,3-11,13,15-17,19,21-28,30,32-52,56H2,1-2H3,(H,59,60)/b14-12-,20-18-,31-29-/t53-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C55H104NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-25-26-27-28-30-32-34-36-38-40-42-44-46-48-55(58)64-53(52-63-65(59,60)62-50-49-56)51-61-54(57)47-45-43-41-39-37-35-33-31-29-22-20-18-16-14-12-10-8-6-4-2/h12,14,18,20,29,31,53H,3-11,13,15-17,19,21-28,30,32-52,56H2,1-2H3,(H,59,60)/b14-12-,20-18-,31-29-/t53-/m1/s1 Image of MNXM185164
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][C:55](=[O:58])[O:64][C@H:53]([CH2:51][O:61][C:54]([CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35][CH2:33]/[CH:31]=[CH:29]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:57])[CH2:52][O:63][P:65]([OH:59])(=[O:60])[O:62][CH2:50][CH2:49][NH2:56]
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:000030408
slm:000030408
UVHWUDMSUKUHFS-HKDMQZSXSA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-octacosanoyl-sn-glycero-3-phosphoethanolamine
PE(22:3(10Z,13Z,16Z)/28:0)
Phosphatidylethanolamine (22:3(10Z,13Z,16Z)/28:0)