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1-(11-methyldodecanoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM187712 Image of MNXM187712
referenceslm:000021141
formulaC36H63O8P
global charge-2
mol weight654.866
InChIKeyXVKYWKJCOTYKDB-OMWHXIMJSA-L
InChIInChI=1S/C36H65O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(38)44-34(32-43-45(39,40)41)31-42-35(37)29-26-23-21-18-19-22-25-28-33(2)3/h8-9,11-12,14-15,33-34H,4-7,10,13,16-32H2,1-3H3,(H2,39,40,41)/p-2/b9-8-,12-11-,15-14-/t34-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C36H65O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-36(38)44-34(32-43-45(39,40)41)31-42-35(37)29-26-23-21-18-19-22-25-28-33(2)3/h8-9,11-12,14-15,33-34H,4-7,10,13,16-32H2,1-3H3,(H2,39,40,41)/b9-8-,12-11-,15-14-/t34-/m1/s1 Image of MNXM187712
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16][CH2:17][CH2:20][CH2:24][CH2:27][CH2:30][C:36](=[O:38])[O:44][C@H:34]([CH2:31][O:42][C:35]([CH2:29][CH2:26][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][CH2:25][CH2:28][CH:33]([CH3:2])[CH3:3])=[O:37])[CH2:32][O:43][P:45]([OH:39])([OH:40])=[O:41]
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:000021141
slm:000021141
XVKYWKJCOTYKDB-OMWHXIMJSA-L
1-(11-methyldodecanoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphate
PA(13:0/20:3(8Z,11Z,14Z))
Phosphatidate (13:0/20:3(8Z,11Z,14Z))