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

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1D-myo-inositol 1,4-bisphosphate

	Properties	Image
MNX_ID	MNXM1103941
reference	chebi:58282
formula	C₆H₁₀O₁₂P₂
global charge	-4
mol weight	336.082
InChIKey	PELZSPZCXGTUMR-RTPHHQFDSA-J
InChI	InChI=1S/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5+,6+/m1/s1
SMILES	O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H]1O

MNX internals

InChI (mnx)	InChI=1/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5+,6+/m1/s1
SMILES (mnx)	[C@@H:1]1([OH:7])[C@@H:2]([OH:8])[C@H:6]([O:18][P:20]([OH:14])([OH:15])=[O:16])[C@@H:4]([OH:10])[C@@H:3]([OH:9])[C@H:5]1[O:17][P:19]([OH:11])([OH:12])=[O:13]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	27
in models (compartimentalized)	11

Similar chemical compounds in external resources
Identifier	Description
CHEBI:58282 chebi:58282 PELZSPZCXGTUMR-RTPHHQFDSA-J	1D-myo-inositol 1,4-bisphosphate 1D-myo-inositol 1,4-bis(phosphate) 1D-myo-inositol 1,4-bisphosphate tetraanion 1D-myo-inositol 1,4-bisphosphate(4-)
vmhM:mi14p vmhmetabolite:mi14p PELZSPZCXGTUMR-RTPHHQFDSA-J	(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonatooxy)cyclohexyl phosphate {[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
bigg.metabolite:mi14p biggM:mi14p PELZSPZCXGTUMR-RTPHHQFDSA-J	1D-myo-Inositol 1,4-bisphosphate
sabiork.compound:5453 sabiorkM:5453 kegg.compound:C01220 keggC:C01220 PELZSPZCXGTUMR-RTPHHQFDSA-N	1D-myo-Inositol 1,4-bisphosphate D-myo-Inositol 1,4-bisphosphate Inositol 1,4-bisphosphate myo-Inositol 1,4-bisphosphate
reactome:R-ALL-1629739 reactomeM:R-ALL-1629739 CHEBI:17816 chebi:17816 PELZSPZCXGTUMR-RTPHHQFDSA-N	1D-myo-inositol 1,4-bisphosphate 1D-myo-Inositol 1,4-bisphosphate 1D-myo-inositol 1,4-bis(dihydrogen phosphate) D-MYO-INOSITOL-1,4-BISPHOSPHATE D-myo-Inositol 1,4-bisphosphate Inositol 1,4-bisphosphate myo-Inositol 1,4-bisphosphate myo-inositol 1,4-bisphosphate
hmdb:HMDB0000968 PELZSPZCXGTUMR-RTPHHQFDSA-N	D-myo-Inositol 1,4-bisphosphate 1D-Myo-inositol 1,4-bisphosphoric acid D-MYO-inositol-1,4-bisphosphATE D-MYO-inositol-1,4-bisphosphoric acid D-Myo-inositol 1,4-bisphosphoric acid Inositol 1,4-bisphosphate Inositol 1,4-bisphosphoric acid Myo-inositol 1,4-bisphosphate Myo-inositol 1,4-bisphosphoric acid [(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxyphosphonic acid {[(1R,2R,3R,4R,5R,6S)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
metacyc.compound:INOSITOL-1-4-BISPHOSPHATE metacycM:INOSITOL-1-4-BISPHOSPHATE PELZSPZCXGTUMR-RTPHHQFDSA-J	D-myo-inositol (1,4)-bisphosphate I(1,4)P2 Ins(1,4)P2 inositol (1,4)-bisphosphate myo-inositol (1,4)-bisphosphate
seed.compound:cpd00898 seedM:cpd00898 PELZSPZCXGTUMR-RTPHHQFDSA-J	Inositol 1,4-bisphosphate 1D-myo-Inositol 1,4-bisphosphate D-myo-Inositol 1,4-bisphosphate D-myo-inositol (1,4)-bisphosphate I(1,4)P2 Ins(1,4)P2 inositol (1,4)-bisphosphate myo-Inositol 1,4-bisphosphate myo-inositol (1,4)-bisphosphate
hmdb:HMDB0062568 hmdb:HMDB00968 hmdb:HMDB62568 chebi:11353 chebi:12827 chebi:19193 chebi:39760 chebi:812 biggM:M_mi14p keggC:M_C01220 seedM:M_cpd00898 vmhM:M_mi14p	secondary/obsolete/fantasy identifier