**This is a beta version of MetaNetX/MNXref, MNXref identifiers may not be final**

PIP(16:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(17))

Properties Image MNX_ID MNXM1531926 reference hmdb:HMDB0278635 formula C45H76O17P2 global charge 0 mol weight 951.034 InChIKey JNWZVOPOLBUYDX-WDAJJNPHSA-N InChI InChI=1S/C45H76O17P2/c1-3-5-6-7-8-9-10-12-16-19-22-25-28-32-38(47)58-34-37(35-59-64(56,57)62-45-42(51)40(49)41(50)44(43(45)52)61-63(53,54)55)60-39(48)33-29-26-23-20-17-14-11-13-15-18-21-24-27-31-36(46)30-4-2/h6-7,9-11,14-15,18,20,23-24,27,36-37,40-46,49-52H,3-5,8,12-13,16-17,19,21-22,25-26,28-35H2,1-2H3,(H,56,57)(H2,53,54,55)/b7-6-,10-9-,14-11-,18-15-,23-20-,27-24-/t36?,37-,40?,41?,42?,43?,44-,45+/m1/s1 SMILES CCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](OP(=O)(O)O)C1O)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CC(O)CCC MNX internals InChI (mnx) InChI=1/C45H76O17P2/c1-3-5-6-7-8-9-10-12-16-19-22-25-28-32-38(47)58-34-37(35-59-64(56,57)62-45-42(51)40(49)41(50)44(43(45)52)61-63(53,54)55)60-39(48)33-29-26-23-20-17-14-11-13-15-18-21-24-27-31-36(46)30-4-2/h6-7,9-11,14-15,18,20,23-24,27,36-37,40-46,49-52H,3-5,8,12-13,16-17,19,21-22,25-26,28-35H2,1-2H3,(H,56,57)(H2,53,54,55)/b7-6-,10-9-,14-11-,18-15-,23-20-,27-24-/t36?,37-,40?,41?,42?,43?,44-,45+/m1/s1 SMILES (mnx) [C@@H:1]([CH2:2][CH2:3][C:26](=[CH2:27])[CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]/[CH:35]=[CH:36]\[CH2:37]/[CH:38]=[CH:39]\[CH2:40][CH2:41][CH3:42])([CH2:4][C:43](=[CH2:44])[CH2:45][O:46][O:47]/[O:48]=[O:49]\[O:50]/[O:51]=[O:52]\[O:53]/[O:54]=[O:55]\[O:56]/[O:57]=[O:58]\[O:59][O:60]([OH:61])[O:62][PH:63][PH2:64])[CH2:5][CH2:6][C:8]([CH2:7][C@H:13]1[CH:12]([CH3:17])[CH:11]([CH3:19])[CH:16]([CH3:21])[C@H:15]([CH2:20][C:22](=[CH2:23])([CH3:24])[CH3:25])[CH:14]1[CH3:18])([CH3:9])=[CH2:10]

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

Identifier

Description

hmdb:HMDB0278635 JNWZVOPOLBUYDX-WDAJJNPHSA-N

PIP(16:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z)-OH(17)) [(1R,3S)-3-{[(2R)-3-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-2-{[(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}propoxy(hydroxy)phosphoryl]oxy}-2,4,5,6-tetrahydroxycyclohexyl]oxyphosphonic acid {[(1R,3S)-3-({[(2R)-3-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-2-{[(11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonate {[(1R,3S)-3-({[(2R)-3-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]-2-{[(5Z,8Z,11Z,14Z)-17-hydroxyicosa-5,8,11,14-tetraenoyl]oxy}propoxy](hydroxy)phosphoryl}oxy)-2,4,5,6-tetrahydroxycyclohexyl]oxy}phosphonic acid