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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM217855 Image of MNXM217855
referenceslm:000022024
formulaC43H75O8P
global charge-2
mol weight751.039
InChIKeyCBBARZKHKKOYQL-NUBVHIFISA-L
InChIInChI=1S/C43H77O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-29-12-10-8-6-4-2/h11,13,15-16,18-19,21-22,41H,3-10,12,14,17,20,23-40H2,1-2H3,(H2,46,47,48)/p-2/b13-11-,16-15-,19-18-,22-21-/t41-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C43H77O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-29-12-10-8-6-4-2/h11,13,15-16,18-19,21-22,41H,3-10,12,14,17,20,23-40H2,1-2H3,(H2,46,47,48)/b13-11-,16-15-,19-18-,22-21-/t41-/m1/s1 Image of MNXM217855
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]/[CH:21]=[CH:22]\[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:31][CH2:33][CH2:35][CH2:37][C:42](=[O:44])[O:49][CH2:39][C@H:41]([CH2:40][O:50][P:52]([OH:46])([OH:47])=[O:48])[O:51][C:43]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:29][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:45]
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:000022024
slm:000022024
CBBARZKHKKOYQL-NUBVHIFISA-L
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-dodecanoyl-sn-glycero-3-phosphate
PA(28:4(13Z,16Z,19Z,22Z)/12:0)
Phosphatidate (28:4(13Z,16Z,19Z,22Z)/12:0)