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1-(10Z,13Z,16Z-docosatrienoyl)-2-propionyl-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM185313 Image of MNXM185313
referenceslm:000014452
formulaC34H58O13P
global charge-1
mol weight705.799
InChIKeyPXGJFYVUVBOPMW-HLDGFANLSA-M
InChIInChI=1S/C34H59O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(36)44-24-26(46-27(35)4-2)25-45-48(42,43)47-34-32(40)30(38)29(37)31(39)33(34)41/h8-9,11-12,14-15,26,29-34,37-41H,3-7,10,13,16-25H2,1-2H3,(H,42,43)/p-1/b9-8-,12-11-,15-14-/t26-,29-,30-,31+,32-,33-,34-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CC
MNX internals
InChI (mnx)InChI=1/C34H59O13P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(36)44-24-26(46-27(35)4-2)25-45-48(42,43)47-34-32(40)30(38)29(37)31(39)33(34)41/h8-9,11-12,14-15,26,29-34,37-41H,3-7,10,13,16-25H2,1-2H3,(H,42,43)/b9-8-,12-11-,15-14-/t26-,29-,30-,31+,32-,33-,34-/m1/s1 Image of MNXM185313
SMILES (mnx)[CH3:1][CH2:3][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][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][C:28](=[O:36])[O:44][CH2:24][C@H:26]([CH2:25][O:45][P:48]([OH:42])(=[O:43])[O:47][C@@H:34]1[C@H:32]([OH:40])[C@H:30]([OH:38])[C@@H:29]([OH:37])[C@H:31]([OH:39])[C@H:33]1[OH:41])[O:46][C:27]([CH2:4][CH3:2])=[O:35]
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:000014452
slm:000014452
PXGJFYVUVBOPMW-HLDGFANLSA-M
1-(10Z,13Z,16Z-docosatrienoyl)-2-propionyl-sn-glycero-3-phospho-1D-myo-inositol
PI(22:3(10Z,13Z,16Z)/3:0)
Phosphatidylinositol (22:3(10Z,13Z,16Z)/3:0)