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1,2-dioctanoyl-sn-glycero-3-phospho-(1-D-myo-inositol-4-phosphate)

PropertiesImage
MNX_IDMNXM146755 Image of MNXM146755
referencechebi:85468
formulaC25H45O16P2
global charge-3
mol weight663.567
InChIKeySNIQYSSXZJPPEL-LKTRINTESA-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)24(21(29)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](O)[C@H](OP(=O)([O-])[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)24(21(29)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 MNXM146755
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:24]([O:40][P:42]([OH:32])([OH:33])=[O:34])[C@@H:21]([OH:29])[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:85468
chebi:85468
SNIQYSSXZJPPEL-LKTRINTESA-K 		1,2-dioctanoyl-sn-glycero-3-phospho-(1-D-myo-inositol-4-phosphate)
(2R)-2,3-bis(octanoyloxy)propyl (1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonatooxy)cyclohexyl phosphate
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)(3-)

CHEBI:85900
chebi:85900
SNIQYSSXZJPPEL-LKTRINTESA-N 		1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4-phosphate)
(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
PIP[4'](8:0/8:0)

SLM:000462825
slm:000462825
SNIQYSSXZJPPEL-LKTRINTESA-K 		1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol-4-phosphate
PIP[4](8:0/8:0)