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1-(11-methyldodecanoyl)-2-acetyl-sn-glycero-3-phospho-1D-myo-inositol

PropertiesImage
MNX_IDMNXM188307 Image of MNXM188307
referenceslm:000014594
formulaC24H44O13P
global charge-1
mol weight571.577
InChIKeyLWMSTXYKHAGOKC-ZZVDUULKSA-M
InChIInChI=1S/C24H45O13P/c1-15(2)11-9-7-5-4-6-8-10-12-18(26)34-13-17(36-16(3)25)14-35-38(32,33)37-24-22(30)20(28)19(27)21(29)23(24)31/h15,17,19-24,27-31H,4-14H2,1-3H3,(H,32,33)/p-1/t17-,19-,20-,21+,22-,23-,24-/m1/s1
SMILESCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)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/C24H45O13P/c1-15(2)11-9-7-5-4-6-8-10-12-18(26)34-13-17(36-16(3)25)14-35-38(32,33)37-24-22(30)20(28)19(27)21(29)23(24)31/h15,17,19-24,27-31H,4-14H2,1-3H3,(H,32,33)/t17-,19-,20-,21+,22-,23-,24-/m1/s1 Image of MNXM188307
SMILES (mnx)[CH3:1][CH:15]([CH3:2])[CH2:11][CH2:9][CH2:7][CH2:5][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][C:18](=[O:26])[O:34][CH2:13][C@H:17]([CH2:14][O:35][P:38]([OH:32])(=[O:33])[O:37][C@@H:24]1[C@H:22]([OH:30])[C@H:20]([OH:28])[C@@H:19]([OH:27])[C@H:21]([OH:29])[C@H:23]1[OH:31])[O:36][C:16]([CH3:3])=[O:25]
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:000014594
slm:000014594
LWMSTXYKHAGOKC-ZZVDUULKSA-M
1-(11-methyldodecanoyl)-2-acetyl-sn-glycero-3-phospho-1D-myo-inositol
PI(13:0/2:0)
Phosphatidylinositol (13:0/2:0)