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1,2-dioctanoyl-sn-glycero-3-phospho-(1-D-myo-inositol-3-phosphate)

PropertiesImage
MNX_IDMNXM146754 Image of MNXM146754
referencechebi:78934
formulaC25H45O16P2
global charge-3
mol weight663.567
InChIKeyLKXJHTKDXMQMDM-UCGOVMIJSA-K
InChIInChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/p-3/t17-,20+,21+,22-,23-,24-,25+/m1/s1
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20+,21+,22-,23-,24-,25+/m1/s1 Image of MNXM146754
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:18](=[O:26])[O:37][CH2:15][C@H:17]([CH2:16][O:38][P:43]([OH:35])(=[O:36])[O:41][C@H:25]1[C@H:22]([OH:30])[C@@H:20]([OH:28])[C@H:21]([OH:29])[C@@H:24]([O:40][P:42]([OH:32])([OH:33])=[O:34])[C@H:23]1[OH:31])[O:39][C:19]([CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:27]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78934
chebi:78934
LKXJHTKDXMQMDM-UCGOVMIJSA-K 		1,2-dioctanoyl-sn-glycero-3-phospho-(1-D-myo-inositol-3-phosphate)
(2R)-2,3-bis(octanoyloxy)propyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3-)
PIP[3'](8:0/8:0)(3-)
phosphatidylinositol 3-phosphate diC8(3-)

CHEBI:82947
chebi:82947
LKXJHTKDXMQMDM-UCGOVMIJSA-N 		1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate)
(2R)-3-[(hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
PIP[3'](8:0/8:0)

SLM:000389768
slm:000389768
LKXJHTKDXMQMDM-UCGOVMIJSA-K 		1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol-3-phosphate
1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)
PIP[3](8:0/8:0)