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1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-)

PropertiesImage
MNX_IDMNXM146756 Image of MNXM146756
referencechebi:83417
formulaC25H44O19P3
global charge-5
mol weight741.53
InChIKeyXLNCEHRXXWQMPK-AWGZLWLLSA-I
InChIInChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/p-5/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](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21-,22+,23+,24+,25+/m1/s1 Image of MNXM146756
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][C:18](=[O:26])[O:39][CH2:15][C@H:17]([CH2:16][O:40][P:47](=[O:37])([OH:38])[O:44][C@H:23]1[C@H:20]([OH:28])[C@@H:21]([OH:29])[C@H:24]([O:42][P:45]([OH:31])(=[O:32])[OH:33])[C@@H:25]([O:43][P:46]([OH:34])(=[O:35])[OH:36])[C@H:22]1[OH:30])[O:41][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)5
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:83417
chebi:83417
XLNCEHRXXWQMPK-AWGZLWLLSA-I 		1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-)
(2R)-2,3-bis(octanoyloxy)propyl (1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexyl phosphate
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4-bisphosphate)(5-)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)
PIP2[3',4'](8:0/8:0)(5-)
PtdIns(3,4)P2diC8 (5-)

vmhM:g3pi34dp_12occa
vmhM:g3pi34dp_12occa
vmhmetabolite:g3pi34dp_12occa
vmhmetabolite:g3pi34dp_12occa
XLNCEHRXXWQMPK-AWGZLWLLSA-I 		1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)

CHEBI:84240
chebi:84240
XLNCEHRXXWQMPK-AWGZLWLLSA-N 		1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
PIP2[3',4'](8:0/8:0)

SLM:000430834
slm:000430834
XLNCEHRXXWQMPK-AWGZLWLLSA-I 		1,2-dioctanoyl-sn-glycero-3-phospho-1D-myo-inositol-3,4-bisphosphate
PIP2[3,4](8:0/8:0)

vmhM:12diocgly3pinos34bp
vmhM:12diocgly3pinos34bp
vmhM:g3pi34dp_12octa
vmhM:g3pi34dp_12octa
vmhM:M_g3pi34dp_12occa 		secondary/obsolete/fantasy identifier