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1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate

PropertiesImage
MNX_IDMNXM216482 Image of MNXM216482
referenceslm:000427253
formulaC57H90O19P3
global charge-5
mol weight1172.25
InChIKeyAUWNCYYMFOMZAA-UXDZIWMXSA-I
InChIInChI=1S/C57H95O19P3/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(58)71-47-49(73-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2)48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68/h5-8,11-14,17-20,22-23,25-26,32,34,49,52-57,60-62H,3-4,9-10,15-16,21,24,27-31,33,35-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/p-5/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-/t49-,52-,53-,54+,55+,56+,57+/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[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
MNX internals
InChI (mnx)InChI=1/C57H95O19P3/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(58)71-47-49(73-51(59)46-44-42-40-38-36-34-32-29-20-18-16-14-12-10-8-6-4-2)48-72-79(69,70)76-55-52(60)53(61)56(74-77(63,64)65)57(54(55)62)75-78(66,67)68/h5-8,11-14,17-20,22-23,25-26,32,34,49,52-57,60-62H,3-4,9-10,15-16,21,24,27-31,33,35-48H2,1-2H3,(H,69,70)(H2,63,64,65)(H2,66,67,68)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,34-32-/t49-,52-,53-,54+,55+,56+,57+/m1/s1 Image of MNXM216482
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:58])[O:71][CH2:47][C@H:49]([CH2:48][O:72][P:79]([OH:69])(=[O:70])[O:76][C@H:55]1[C@H:52]([OH:60])[C@@H:53]([OH:61])[C@H:56]([O:74][P:77]([OH:63])([OH:64])=[O:65])[C@@H:57]([O:75][P:78]([OH:66])([OH:67])=[O:68])[C@H:54]1[OH:62])[O:73][C:51]([CH2:46][CH2:44][CH2:42][CH2:40][CH2:38][CH2:36]/[CH:34]=[CH:32]\[CH2:29]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:59]
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:000427253
slm:000427253
AUWNCYYMFOMZAA-UXDZIWMXSA-I 		1-(13Z,16Z,19Z,22Z,25Z-octacosapentaenoyl)-2-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate
PIP2[3,4](28:5(13Z,16Z,19Z,22Z,25Z)/20:4(8Z,11Z,14Z,17Z))