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1-acetyl-2-docosanoyl-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM343020 Image of MNXM343020
referenceslm:000019021
formulaC33H62O13P
global charge-1
mol weight697.82
InChIKeyLZZLYWJEEKTZJF-QFBHLSRGSA-M
InChIInChI=1S/C33H63O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)45-26(23-43-25(2)34)24-44-47(41,42)46-33-31(39)29(37)28(36)30(38)32(33)40/h26,28-33,36-40H,3-24H2,1-2H3,(H,41,42)/p-1/t26-,28-,29-,30+,31-,32-,33-/m1/s1
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)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/C33H63O13P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27(35)45-26(23-43-25(2)34)24-44-47(41,42)46-33-31(39)29(37)28(36)30(38)32(33)40/h26,28-33,36-40H,3-24H2,1-2H3,(H,41,42)/t26-,28-,29-,30+,31-,32-,33-/m1/s1 Image of MNXM343020
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][C:27](=[O:35])[O:45][C@H:26]([CH2:23][O:43][C:25]([CH3:2])=[O:34])[CH2:24][O:44][P:47]([OH:41])(=[O:42])[O:46][C@@H:33]1[C@H:31]([OH:39])[C@H:29]([OH:37])[C@@H:28]([OH:36])[C@H:30]([OH:38])[C@H:32]1[OH:40]
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:000019021
slm:000019021
LZZLYWJEEKTZJF-QFBHLSRGSA-M
1-acetyl-2-docosanoyl-sn-glycero-3-phospho-1D-myo-inositol
PI(2:0/22:0)
Phosphatidylinositol (2:0/22:0)