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

PIP(20:4(6E,8Z,11Z,14Z)-OH(5S)/16:1(9Z))

Properties Image MNX_ID MNXM1531817 reference hmdb:HMDB0278526 formula C45H78O17P2 global charge 0 mol weight 953.05 InChIKey PNQLFXOYKXDHIB-XANXUAIYSA-N InChI InChI=1S/C45H78O17P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-36(46)31-29-33-38(47)58-34-37(60-39(48)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-59-64(56,57)62-45-42(51)40(49)41(50)44(43(45)52)61-63(53,54)55/h11,13-14,16-17,19,23,25,27,30,36-37,40-46,49-52H,3-10,12,15,18,20-22,24,26,28-29,31-35H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,16-14-,19-17-,25-23-,30-27+/t36-,37-,40?,41?,42?,43?,44-,45+/m1/s1 SMILES CCCCC/C=C\C/C=C\C/C=C\C=C\[C@@H](O)CCCC(=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)CCCCCCC/C=C\CCCCCC MNX internals InChI (mnx) InChI=1/C45H78O17P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-30-36(46)31-29-33-38(47)58-34-37(60-39(48)32-28-26-24-22-20-18-16-14-12-10-8-6-4-2)35-59-64(56,57)62-45-42(51)40(49)41(50)44(43(45)52)61-63(53,54)55/h11,13-14,16-17,19,23,25,27,30,36-37,40-46,49-52H,3-10,12,15,18,20-22,24,26,28-29,31-35H2,1-2H3,(H,56,57)(H2,53,54,55)/b13-11-,16-14-,19-17-,25-23-,30-27+/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][C@@H:31]([CH3:32])/[CH:33]=[CH:34]/[CH:35]=[CH:36]/[CH2:37]/[CH:38]=[CH:39]\[CH2:40]/[CH:41]=[CH:42]/[CH2:43][CH2:44][CH2:45][O:46][OH:47])([CH2:4][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][O:61][O:62][PH:63][PH2:64])[CH2:5][CH2:6][C:8]([CH2:7][CH: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:HMDB0278526 PNQLFXOYKXDHIB-XANXUAIYSA-N

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