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1-decanoyl-2-(16Z,19Z,22Z,25Z,28Z-tetratriacontapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate

PropertiesImage
MNX_IDMNXM345093 Image of MNXM345093
referenceslm:000491449
formulaC53H90O19P3
global charge-5
mol weight1124.206
InChIKeyAKZVTXYPPXCXLC-ZYJARZENSA-I
InChIInChI=1S/C53H95O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h11-12,14-15,17-18,20-21,23-24,45,48-53,56-58H,3-10,13,16,19,22,25-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/p-5/b12-11-,15-14-,18-17-,21-20-,24-23-/t45-,48-,49-,50+,51+,52+,53+/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)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
MNX internals
InChI (mnx)InChI=1/C53H95O19P3/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-36-38-40-42-47(55)69-45(43-67-46(54)41-39-37-35-10-8-6-4-2)44-68-75(65,66)72-51-48(56)49(57)52(70-73(59,60)61)53(50(51)58)71-74(62,63)64/h11-12,14-15,17-18,20-21,23-24,45,48-53,56-58H,3-10,13,16,19,22,25-44H2,1-2H3,(H,65,66)(H2,59,60,61)(H2,62,63,64)/b12-11-,15-14-,18-17-,21-20-,24-23-/t45-,48-,49-,50+,51+,52+,53+/m1/s1 Image of MNXM345093
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:47](=[O:55])[O:69][C@H:45]([CH2:43][O:67][C:46]([CH2:41][CH2:39][CH2:37][CH2:35][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:54])[CH2:44][O:68][P:75]([OH:65])(=[O:66])[O:72][C@H:51]1[C@H:48]([OH:56])[C@@H:49]([OH:57])[C@H:52]([O:70][P:73]([OH:59])([OH:60])=[O:61])[C@@H:53]([O:71][P:74]([OH:62])([OH:63])=[O:64])[C@H:50]1[OH:58]
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:000491449
slm:000491449
AKZVTXYPPXCXLC-ZYJARZENSA-I
1-decanoyl-2-(16Z,19Z,22Z,25Z,28Z-tetratriacontapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate
PIP2[3,4](10:0/34:5(16Z,19Z,22Z,25Z,28Z))
Phosphatidylinositol-3,4-bisphosphate (10:0/34:5(16Z,19Z,22Z,25Z,28Z))