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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)

	Properties	Image
MNX_ID	MNXM1364143
reference	chebi:57836
formula	C₁₁H₁₃O₂₂P₄*₂
global charge	-7
mol weight
InChIKey
InChI
SMILES	[]C(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC([])=O

MNX internals

InChI (mnx)	InChI=1/C13H26O22P4/c1-5(14)29-3-7(31-6(2)15)4-30-39(27,28)35-10-8(16)11(32-36(18,19)20)13(34-38(24,25)26)12(9(10)17)33-37(21,22)23/h7-13,16-17H,3-4H2,1-2H3,(H,27,28)(H2,18,19,20)(H2,21,22,23)(H2,24,25,26)/t7-,8+,9+,10-,11+,12-,13-/m1/s1/i1+1,2+1
SMILES (mnx)	[13CH3:1][C:5](=[O:14])[O:29][CH2:3][C@H:7]([CH2:4][O:30][P:39]([OH:27])(=[O:28])[O:35][C@@H:10]1[C@H:8]([OH:16])[C@H:11]([O:32][P:36]([OH:18])([OH:19])=[O:20])[C@@H:13]([O:34][P:38]([OH:24])([OH:25])=[O:26])[C@H:12]([O:33][P:37]([OH:21])([OH:22])=[O:23])[C@H:9]1[OH:17])[O:31][C:6]([13CH3:2])=[O:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	3

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-179838 reactomeM:R-ALL-179838 reactome:R-ALL-38117 reactomeM:R-ALL-38117 reactome:R-ALL-8849955 reactomeM:R-ALL-8849955 reactome:R-ALL-8874468 reactomeM:R-ALL-8874468 reactome:R-ALL-917716 reactomeM:R-ALL-917716 reactome:R-ALL-917725 reactomeM:R-ALL-917725 CHEBI:57836 chebi:57836	a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7-) 2,3-bis(alkanoyloxy)propyl (1S,2S,3R,4S,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonatooxy)cyclohexyl phosphate
SLM:000000925 slm:000000925	1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol-3,4,5-trisphosphate 1-phosphatidyl-1D-myo-inositol-3,4,5-trisphosphate PIP3[3,4,5]