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1-acetyl-2-tridecanoyl-sn-glycero-3-phospho-1D-myo-inositol-4,5-bisphosphate

PropertiesImage
MNX_IDMNXM343260 Image of MNXM343260
referenceslm:000469308
formulaC24H42O19P3
global charge-5
mol weight727.503
InChIKeyZWMZSJCURKHOKT-UBHXGSIVSA-I
InChIInChI=1S/C24H47O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-18(26)40-17(14-38-16(2)25)15-39-46(36,37)43-22-19(27)20(28)23(41-44(30,31)32)24(21(22)29)42-45(33,34)35/h17,19-24,27-29H,3-15H2,1-2H3,(H,36,37)(H2,30,31,32)(H2,33,34,35)/p-5/t17-,19-,20+,21+,22-,23-,24-/m1/s1
SMILESCCCCCCCCCCCCC(=O)O[C@H](COC(C)=O)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H47O19P3/c1-3-4-5-6-7-8-9-10-11-12-13-18(26)40-17(14-38-16(2)25)15-39-46(36,37)43-22-19(27)20(28)23(41-44(30,31)32)24(21(22)29)42-45(33,34)35/h17,19-24,27-29H,3-15H2,1-2H3,(H,36,37)(H2,30,31,32)(H2,33,34,35)/t17-,19-,20+,21+,22-,23-,24-/m1/s1 Image of MNXM343260
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][C:18](=[O:26])[O:40][C@H:17]([CH2:14][O:38][C:16]([CH3:2])=[O:25])[CH2:15][O:39][P:46]([OH:36])(=[O:37])[O:43][C@@H:22]1[C@H:19]([OH:27])[C@H:20]([OH:28])[C@@H:23]([O:41][P:44]([OH:30])([OH:31])=[O:32])[C@H:24]([O:42][P:45]([OH:33])([OH:34])=[O:35])[C@H:21]1[OH:29]
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:000469308
slm:000469308
ZWMZSJCURKHOKT-UBHXGSIVSA-I
1-acetyl-2-tridecanoyl-sn-glycero-3-phospho-1D-myo-inositol-4,5-bisphosphate
PIP2[4,5](2:0/13:0)