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

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1D-myo-inositol 3,4-bisphosphate

	Properties	Image
MNX_ID	MNXM1102961
reference	chebi:83241
formula	C₆H₁₀O₁₂P₂
global charge	-4
mol weight	336.082
InChIKey	MCKAJXMRULSUKI-CNWJWELYSA-J
InChI	InChI=1S/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3-,4+,5-,6-/m0/s1
SMILES	O=P([O-])([O-])O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H]1OP(=O)([O-])[O-]

MNX internals

InChI (mnx)	InChI=1/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/t1-,2-,3-,4+,5-,6-/m0/s1
SMILES (mnx)	[C@H:1]1([OH:7])[C@H:2]([OH:8])[C@@H:4]([OH:10])[C@H:6]([O:18][P:20]([OH:14])([OH:15])=[O:16])[C@@H:5]([O:17][P:19]([OH:11])([OH:12])=[O:13])[C@H:3]1[OH:9]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	5

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83241 chebi:83241 MCKAJXMRULSUKI-CNWJWELYSA-J	1D-myo-inositol 3,4-bisphosphate 1D-myo-inositol 3,4-biphosphate(4-)
bigg.metabolite:mi34p biggM:mi34p MCKAJXMRULSUKI-CNWJWELYSA-J	1D-myo-Inositol 3,4-bisphosphate
vmhM:mi34p vmhmetabolite:mi34p MCKAJXMRULSUKI-CNWJWELYSA-J	1D-myo-Inositol 3,4-bisphosphate {[(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
reactome:R-ALL-1629746 reactomeM:R-ALL-1629746 CHEBI:28858 chebi:28858 MCKAJXMRULSUKI-CNWJWELYSA-N	1D-myo-inositol 3,4-bisphosphate 1D-myo-Inositol 3,4-bisphosphate 1L-myo-inositol 1,6-bis(dihydrogen phosphate) D-myo-Inositol 3,4-bisphosphate Inositol 3,4-bisphosphate
hmdb:HMDB0006235 MCKAJXMRULSUKI-CNWJWELYSA-N	D-myo-Inositol 3,4-bisphosphate 1D-Myo-inositol 3,4-bisphosphate 1D-Myo-inositol 3,4-bisphosphoric acid 1D-myo-Inositol 3,4-bis(dihydrogen phosphate) 1D-myo-Inositol 3,4-diphosphate D-Myo-inositol 3,4-bisphosphoric acid D-myo-Inositol 3,4-diphosphate Inositol 1,2-bisphosphate Inositol 3,4-bisphosphate Inositol 3,4-bisphosphoric acid Inositol 3,4-diphosphate Ins(3,4)P2 Myo-inositol 1,2-bisphosphate [(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxyphosphonic acid {[(1S,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
sabiork.compound:7050 sabiorkM:7050 kegg.compound:C04063 keggC:C04063 MCKAJXMRULSUKI-CNWJWELYSA-N	D-myo-Inositol 3,4-bisphosphate 1D-myo-Inositol 3,4-bisphosphate Inositol 3,4-bisphosphate
metacyc.compound:D-MYO-INOSITOL-34-BISPHOSPHATE metacycM:D-MYO-INOSITOL-34-BISPHOSPHATE MCKAJXMRULSUKI-CNWJWELYSA-J	D-myo-inositol (3,4)-bisphosphate (2,3,4,5)-tetrahydroxy-6-phosphooxy-cyclohexoxy)phosphonic acid 1D-myo-inositol (3,4)-bisphosphate I(3,4)P2 Ins(3,4)P2 inositol (3,4)-bisphosphate
seed.compound:cpd02513 seedM:cpd02513 MCKAJXMRULSUKI-CNWJWELYSA-J	Inositol 3,4-bisphosphate (2,3,4,5)-tetrahydroxy-6-phosphonooxy-cyclohexoxy)phosphonic acid (2,3,4,5)-tetrahydroxy-6-phosphooxy-cyclohexoxy)phosphonic acid 1D-myo-Inositol 3,4-bisphosphate 1D-myo-inositol (3,4)-bisphosphate D-myo-Inositol 3,4-bisphosphate D-myo-inositol (3,4)-bisphosphate I(3,4)P2 Ins(3,4)P2 inositol (3,4)-bisphosphate
hmdb:HMDB06235 chebi:19195 chebi:4277 biggM:M_mi34p keggC:M_C04063 seedM:M_cpd02513 vmhM:M_mi34p	secondary/obsolete/fantasy identifier