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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine

PropertiesImage
MNX_IDMNXM216560 Image of MNXM216560
referenceslm:000031338
formulaC51H86NO8P
global charge0
mol weight872.222
InChIKeyIFANQTOYMDNJTC-GRLWISJOSA-N
InChIInChI=1S/C51H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,29,49H,3-4,9-10,15-16,20,23,26-28,30-48,52H2,1-2H3,(H,55,56)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,29-18-/t49-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[NH3+])OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C51H86NO8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-50(53)57-47-49(48-59-61(55,56)58-46-45-52)60-51(54)44-42-40-38-36-34-32-29-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-22,24-25,29,49H,3-4,9-10,15-16,20,23,26-28,30-48,52H2,1-2H3,(H,55,56)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,25-24-,29-18-/t49-/m1/s1 Image of MNXM216560
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:20]/[CH:21]=[CH:22]\[CH2:23]/[CH:24]=[CH:25]\[CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][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]([OH:55])(=[O:56])[O:58][CH2:46][CH2:45][NH2:52])[O:60][C:51]([CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32]/[CH:29]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][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:000031338
slm:000031338
IFANQTOYMDNJTC-GRLWISJOSA-N
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphoethanolamine
PE(28:5(13Z,16Z,19Z,22Z,25Z)/18:3(9Z,12Z,15Z))
Phosphatidylethanolamine (28:5(13Z,16Z,19Z,22Z,25Z)/18:3(9Z,12Z,15Z))