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1-(11E-octadecenoyl)-2-octanoyl-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM192772 Image of MNXM192772
referenceslm:000014529
formulaC35H64O13P
global charge-1
mol weight723.858
InChIKeyASZKSZYQILSPDZ-MFGKWQIFSA-M
InChIInChI=1S/C35H65O13P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-28(36)45-25-27(47-29(37)24-22-19-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h11-12,27,30-35,38-42H,3-10,13-26H2,1-2H3,(H,43,44)/p-1/b12-11+/t27-,30-,31-,32+,33-,34-,35-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C35H65O13P/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-20-21-23-28(36)45-25-27(47-29(37)24-22-19-8-6-4-2)26-46-49(43,44)48-35-33(41)31(39)30(38)32(40)34(35)42/h11-12,27,30-35,38-42H,3-10,13-26H2,1-2H3,(H,43,44)/b12-11+/t27-,30-,31-,32+,33-,34-,35-/m1/s1 Image of MNXM192772
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:10]/[CH:11]=[CH:12]/[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:20][CH2:21][CH2:23][C:28](=[O:36])[O:45][CH2:25][C@H:27]([CH2:26][O:46][P:49]([OH:43])(=[O:44])[O:48][C@@H:35]1[C@H:33]([OH:41])[C@H:31]([OH:39])[C@@H:30]([OH:38])[C@H:32]([OH:40])[C@H:34]1[OH:42])[O:47][C:29]([CH2:24][CH2:22][CH2:19][CH2:8][CH2:6][CH2:4][CH3:2])=[O:37]
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:000014529
slm:000014529
ASZKSZYQILSPDZ-MFGKWQIFSA-M
1-(11E-octadecenoyl)-2-octanoyl-sn-glycero-3-phospho-1D-myo-inositol
PI(18:1(11E)/8:0)
Phosphatidylinositol (18:1(11E)/8:0)