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1-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-1D-myo-inositol-4-phosphate

PropertiesImage
MNX_IDMNXM301255 Image of MNXM301255
referenceslm:000461901
formulaC61H97O16P2
global charge-3
mol weight1148.379
InChIKeyCCYYHBXKVNUPOW-WBNLFWCTSA-K
InChIInChI=1S/C61H100O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-55(63)75-53(52-74-79(71,72)77-61-58(66)56(64)60(57(65)59(61)67)76-78(68,69)70)51-73-54(62)49-47-45-43-41-39-37-35-33-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,28-29,35,37,53,56-61,64-67H,3-4,9-10,15-16,21,24,27,30-34,36,38-52H2,1-2H3,(H,71,72)(H2,68,69,70)/p-3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-,37-35-/t53-,56-,57+,58-,59-,60+,61+/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C61H100O16P2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-31-32-34-36-38-40-42-44-46-48-50-55(63)75-53(52-74-79(71,72)77-61-58(66)56(64)60(57(65)59(61)67)76-78(68,69)70)51-73-54(62)49-47-45-43-41-39-37-35-33-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,22-23,25-26,28-29,35,37,53,56-61,64-67H,3-4,9-10,15-16,21,24,27,30-34,36,38-52H2,1-2H3,(H,71,72)(H2,68,69,70)/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-,23-22-,26-25-,29-28-,37-35-/t53-,56-,57+,58-,59-,60+,61+/m1/s1 Image of MNXM301255
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]/[CH:28]=[CH:29]\[CH2:30][CH2:31][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][C:55](=[O:63])[O:75][C@H:53]([CH2:51][O:73][C:54]([CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39]/[CH:37]=[CH:35]\[CH2:33]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10]/[CH:8]=[CH:6]\[CH2:4][CH3:2])=[O:62])[CH2:52][O:74][P:79]([OH:71])(=[O:72])[O:77][C@H:61]1[C@H:58]([OH:66])[C@@H:56]([OH:64])[C@H:60]([O:76][P:78]([OH:68])([OH:69])=[O:70])[C@@H:57]([OH:65])[C@H:59]1[OH:67]
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:000461901
slm:000461901
CCYYHBXKVNUPOW-WBNLFWCTSA-K 		1-(8Z,11Z,14Z,17Z-eicosatetraenoyl)-2-(14Z,17Z,20Z,23Z,26Z,29Z-dotriacontahexaenoyl)-sn-glycero-3-phospho-1D-myo-inositol-4-phosphate
PIP[4](20:4(8Z,11Z,14Z,17Z)/32:6(14Z,17Z,20Z,23Z,26Z,29Z))