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1-(10Z,13Z,16Z-docosatrienoyl)-2-dodecanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM184683 Image of MNXM184683
referenceslm:000020997
formulaC37H65O8P
global charge-2
mol weight668.893
InChIKeyUBBWCQGFOYTTAS-HHJFGUBLSA-L
InChIInChI=1S/C37H67O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-23-12-10-8-6-4-2/h11,13,15-16,18-19,35H,3-10,12,14,17,20-34H2,1-2H3,(H2,40,41,42)/p-2/b13-11-,16-15-,19-18-/t35-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C37H67O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-24-25-27-29-31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-23-12-10-8-6-4-2/h11,13,15-16,18-19,35H,3-10,12,14,17,20-34H2,1-2H3,(H2,40,41,42)/b13-11-,16-15-,19-18-/t35-/m1/s1 Image of MNXM184683
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:14]/[CH:15]=[CH:16]\[CH2:17]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][C:36](=[O:38])[O:43][CH2:33][C@H:35]([CH2:34][O:44][P:46]([OH:40])([OH:41])=[O:42])[O:45][C:37]([CH2:32][CH2:30][CH2:28][CH2:26][CH2:23][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:39]
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:000020997
slm:000020997
UBBWCQGFOYTTAS-HHJFGUBLSA-L
1-(10Z,13Z,16Z-docosatrienoyl)-2-dodecanoyl-sn-glycero-3-phosphate
PA(22:3(10Z,13Z,16Z)/12:0)
Phosphatidate (22:3(10Z,13Z,16Z)/12:0)