MetaNetX
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-5-phosphate)

	Properties	Image
MNX_ID	MNXM1370916
reference	chebi:57795
formula	C₁₁H₁₅O₁₆P₂*₂
global charge	-3
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](O)[C@@H](O)[C@H]1O)OC([])=O

MNX internals

InChI (mnx)	InChI=1/C13H24O16P2/c1-5(14)25-3-7(27-6(2)15)4-26-31(23,24)29-13-10(18)8(16)9(17)12(11(13)19)28-30(20,21)22/h7-13,16-19H,3-4H2,1-2H3,(H,23,24)(H2,20,21,22)/t7-,8-,9-,10-,11-,12+,13-/m1/s1/i1+1,2+1
SMILES (mnx)	[13CH3:1][C:5](=[O:14])[O:25][CH2:3][C@H:7]([CH2:4][O:26][P:31]([OH:23])(=[O:24])[O:29][C@@H:13]1[C@H:10]([OH:18])[C@H:8]([OH:16])[C@@H:9]([OH:17])[C@H:12]([O:28][P:30]([OH:20])([OH:21])=[O:22])[C@H:11]1[OH:19])[O:27][C:6]([13CH3:2])=[O:15]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
reactome:R-ALL-1806212 reactomeM:R-ALL-1806212 reactome:R-ALL-1806240 reactomeM:R-ALL-1806240 reactome:R-ALL-1806259 reactomeM:R-ALL-1806259 reactome:R-ALL-422529 reactomeM:R-ALL-422529 reactome:R-ALL-6810408 reactomeM:R-ALL-6810408 CHEBI:57795 chebi:57795	a 1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol-5-phosphate) 1-phosphatidyl-1D-myo-inositol 5-phosphate trianion 1-phosphatidyl-1D-myo-inositol 5-phosphate trianions 1-phosphatidyl-1D-myo-inositol 5-phosphate(3-) 2,3-bis(alkanoyloxy)propyl (1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
SLM:000001091 slm:000001091	1,2-diacyl-sn-glycero-3-phospho-1D-myo-inositol-5-phosphate 1-phosphatidyl-1D-myo-inositol-5-phosphate PIP[5]