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

Feedback

1D-myo-inositol 1,3-bisphosphate

	Properties	Image
MNX_ID	MNXM1103624
reference	chebi:83242
formula	C₆H₁₀O₁₂P₂
global charge	-4
mol weight	336.082
InChIKey	PUVHMWJJTITUGO-FICORBCRSA-J
InChI	InChI=1S/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-4/t1-,2-,3+,4+,5+,6-
SMILES	O=P([O-])([O-])O[C@@H]1[C@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@H](O)[C@H]1O

MNX internals

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

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	4

Similar chemical compounds in external resources
Identifier	Description
CHEBI:83242 chebi:83242 PUVHMWJJTITUGO-FICORBCRSA-J	1D-myo-inositol 1,3-bisphosphate 1D-myo-inositol 1,3-biphosphate(4-)
bigg.metabolite:mi13p biggM:mi13p PUVHMWJJTITUGO-FICORBCRSA-J	1D-myo-Inositol 1,3-bisphosphate
vmhM:mi13p vmhmetabolite:mi13p PUVHMWJJTITUGO-FICORBCRSA-J	1D-myo-Inositol 1,3-bisphosphate {[(1S,2R,3s,4S,5R,6s)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
hmdb:HMDB0006234 PUVHMWJJTITUGO-FICORBCRSA-N	D-myo-Inositol 1,3-bisphosphate 1D-Myo-inositol 1,3-bisphosphate 1D-Myo-inositol 1,3-bisphosphoric acid D-Myo-inositol 1,3-bisphosphoric acid Inositol 1,3-bisphosphate Inositol 1,3-bisphosphoric acid Inositol 1,3-diphosphate Inositol(1,3)bisphosphate Myo-inositol 1,3-bisphosphate Myo-inositol 1,3-bisphosphoric acid PHOSPHORIC ACID mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester PHOSPHate mono-(2,3,4,6-tetrahydroxy-5-phosphonooxy-cyclohexyl) ester [(1S,2R,3s,4S,5R,6s)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxyphosphonic acid myo-Inositol 1,3-bis(dihydrogen phosphate) myo-Inositol, 1,3-bis(dihydrogen phosphate) {[(1S,2R,3s,4S,5R,6s)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphonic acid
sabiork.compound:7049 sabiorkM:7049 kegg.compound:C04062 keggC:C04062 PUVHMWJJTITUGO-FICORBCRSA-N	D-myo-Inositol 1,3-bisphosphate 1D-myo-Inositol 1,3-bisphosphate Inositol 1,3-bisphosphate myo-Inositol 1,3-bisphosphate
metacyc.compound:D-MYO-INOSITOL-13-BISPHOSPHATE metacycM:D-MYO-INOSITOL-13-BISPHOSPHATE PUVHMWJJTITUGO-FICORBCRSA-J	D-myo-inositol (1,3)-bisphosphate 1D-myo-inositol (1,3)-bisphosphate I(1,3)P2 Ins(1,3)P2 inositol (1,3)-bisphosphate myo-inositol (1,3)-bisphosphate
seed.compound:cpd02512 seedM:cpd02512 PUVHMWJJTITUGO-FICORBCRSA-J	Inositol 1,3-bisphosphate 1D-myo-Inositol 1,3-bisphosphate 1D-myo-inositol (1,3)-bisphosphate D-myo-Inositol 1,3-bisphosphate D-myo-inositol (1,3)-bisphosphate I(1,3)P2 Ins(1,3)P2 inositol (1,3)-bisphosphate myo-Inositol 1,3-bisphosphate myo-inositol (1,3)-bisphosphate
reactome:R-ALL-1629769 reactomeM:R-ALL-1629769 CHEBI:18225 chebi:18225 PUVHMWJJTITUGO-FICORBCRSA-N	myo-inositol 1,3-bisphosphate 1D-myo-Inositol 1,3-bisphosphate D-myo-Inositol 1,3-bisphosphate Inositol 1,3-bisphosphate PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER myo-Inositol 1,3-bisphosphate myo-inositol 1,3-bis(dihydrogen phosphate)
hmdb:HMDB06234 chebi:12893 chebi:19191 chebi:4275 chebi:43416 biggM:M_mi13p keggC:M_C04062 seedM:M_cpd02512 vmhM:M_mi13p	secondary/obsolete/fantasy identifier