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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM217088 Image of MNXM217088
referenceslm:000015416
formulaC67H110O13P
global charge-1
mol weight1154.578
InChIKeyOQCKOPBUCUNRFS-CNDQIWFPSA-M
InChIInChI=1S/C67H111O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-61(69)79-59(58-78-81(75,76)80-67-65(73)63(71)62(70)64(72)66(67)74)57-77-60(68)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,33-34,36,59,62-67,70-74H,3-4,6,8-10,15-16,21-22,27-28,32,35,37-58H2,1-2H3,(H,75,76)/p-1/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-31-,36-34-/t59-,62-,63-,64+,65-,66-,67-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C67H111O13P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-32-34-36-38-40-42-44-46-48-50-52-54-56-61(69)79-59(58-78-81(75,76)80-67-65(73)63(71)62(70)64(72)66(67)74)57-77-60(68)55-53-51-49-47-45-43-41-39-37-35-33-31-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11-14,17-20,23-26,29-31,33-34,36,59,62-67,70-74H,3-4,6,8-10,15-16,21-22,27-28,32,35,37-58H2,1-2H3,(H,75,76)/b7-5-,13-11-,14-12-,19-17-,20-18-,25-23-,26-24-,30-29-,33-31-,36-34-/t59-,62-,63-,64+,65-,66-,67-/m1/s1 Image of MNXM217088
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:23]=[CH:25]\[CH2:27]/[CH:29]=[CH:30]\[CH2:32]/[CH:34]=[CH:36]\[CH2:38][CH2:40][CH2:42][CH2:44][CH2:46][CH2:48][CH2:50][CH2:52][CH2:54][CH2:56][C:61](=[O:69])[O:79][C@H:59]([CH2:57][O:77][C:60]([CH2:55][CH2:53][CH2:51][CH2:49][CH2:47][CH2:45][CH2:43][CH2:41][CH2:39][CH2:37][CH2:35]/[CH:33]=[CH:31]\[CH2:28]/[CH:26]=[CH:24]\[CH2:22]/[CH:20]=[CH:18]\[CH2:16]/[CH:14]=[CH:12]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:68])[CH2:58][O:78][P:81]([OH:75])(=[O:76])[O:80][C@@H:67]1[C@H:65]([OH:73])[C@H:63]([OH:71])[C@@H:62]([OH:70])[C@H:64]([OH:72])[C@H:66]1[OH:74]
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:000015416
slm:000015416
OQCKOPBUCUNRFS-CNDQIWFPSA-M 		1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-(12Z,15Z,18Z,21Z,24Z,27Z-triacontahexaenoyl)-sn-glycero-3-phospho-1D-myo-inositol
PI(28:4(13Z,16Z,19Z,22Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))
Phosphatidylinositol (28:4(13Z,16Z,19Z,22Z)/30:6(12Z,15Z,18Z,21Z,24Z,27Z))