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1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM32507 Image of MNXM32507
referenceslm:000019723
formulaC43H76O13P
global charge-1
mol weight832.042
InChIKeyUHAJRYVOXHROHT-ZGIJJHGGSA-M
InChIInChI=1S/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38-43,46-50H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H,51,52)/p-1/b7-5-,13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)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/C43H77O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,35,38-43,46-50H,3-4,6,8-10,12,14-16,19-34H2,1-2H3,(H,51,52)/b7-5-,13-11-,18-17-/t35-,38-,39-,40+,41-,42-,43-/m1/s1 Image of MNXM32507
SMILES (mnx)[CH3:1][CH2:3]/[CH:5]=[CH:7]\[CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:17]=[CH:18]\[CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][C:37](=[O:45])[O:55][C@H:35]([CH2:33][O:53][C:36]([CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:19][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44])[CH2:34][O:54][P:57]([OH:51])(=[O:52])[O:56][C@@H:43]1[C@H:41]([OH:49])[C@H:39]([OH:47])[C@@H:38]([OH:46])[C@H:40]([OH:48])[C@H:42]1[OH:50]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000019723
slm:000019723
UHAJRYVOXHROHT-ZGIJJHGGSA-M 		1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol
PI(16:0/18:3(9Z,12Z,15Z))
Phosphatidylinositol (16:0/18:3(9Z,12Z,15Z))

metacyc.compound:CPD-8322
metacycM:CPD-8322
seed.compound:cpd25172
seedM:cpd25172
UHAJRYVOXHROHT-ZGIJJHGGSA-M 		1-16:0-2-18:3-phosphatidylinositol
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
16:0-18:3-PI

lipidmaps:LMGP06010944
lipidmapsM:LMGP06010944
UHAJRYVOXHROHT-ZGIJJHGGSA-N 		PI(16:0/18:3(9Z,12Z,15Z))
1-hexadecanoyl-2-(9Z,12Z,15Z-octadecatrienoyl)-glycero-3-phospho-(1'-myo-inositol)
PI 34:3
PI(16:0_18:3)
PI(34:3)

seedM:M_cpd25172 		secondary/obsolete/fantasy identifier