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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM215861 Image of MNXM215861
referenceslm:000021890
formulaC51H83O8P
global charge-2
mol weight855.191
InChIKeyPLLVQKBHWUPGDG-KWCTZENCSA-L
InChIInChI=1S/C51H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(52)57-47-49(48-58-60(54,55)56)59-51(53)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,49H,3-4,9-10,15-16,21,24,27-48H2,1-2H3,(H2,54,55,56)/p-2/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/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-])[O-])OC(=O)CCCCCCCCC/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C51H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-31-33-35-37-39-41-43-45-50(52)57-47-49(48-58-60(54,55)56)59-51(53)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,49H,3-4,9-10,15-16,21,24,27-48H2,1-2H3,(H2,54,55,56)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-/t49-/m1/s1 Image of MNXM215861
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:19]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][CH2:41][CH2:43][CH2:45][C:50](=[O:52])[O:57][CH2:47][C@H:49]([CH2:48][O:58][P:60]([OH:54])([OH:55])=[O:56])[O:59][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36][CH2:34][CH2:32][CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:53]
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:000021890
slm:000021890
PLLVQKBHWUPGDG-KWCTZENCSA-L
1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(11Z,14Z,17Z-eicoastrienoyl)-sn-glycero-3-phosphate
PA(28:5(13Z,16Z,19Z,22Z,25Z)/20:3(11Z,14Z,17Z))
Phosphatidate (28:5(13Z,16Z,19Z,22Z,25Z)/20:3(11Z,14Z,17Z))