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

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1D-myo-inositol 2,4-bisphosphate

	Properties	Image
MNX_ID	MNXM11291
reference	chebi:133416
formula	C₆H₁₄O₁₂P₂
global charge	0
mol weight	340.114
InChIKey	PUVHMWJJTITUGO-PTQMNWPWSA-N
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)/t1-,2-,3+,4-,5-,6-/m0/s1
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-/m0/s1
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)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:133416 chebi:133416 PUVHMWJJTITUGO-PTQMNWPWSA-N	1D-myo-inositol 2,4-bisphosphate (1S,2S,3S,4S,5S,6S)-2,4,5,6-tetrahydroxycyclohexane-1,3-diyl bis[dihydrogen (phosphate)] 1D-myo-inositol (2,4) bisphosphate 1D-myo-inositol 2,4-bis(dihydrogen phosphate) I(2,4)P2 Ins(2,4)P2 myo-inositol (2,4) bisphosphate
seed.compound:cpd24659 seedM:cpd24659 PUVHMWJJTITUGO-PTQMNWPWSA-J	1D-myo-inositol (2,4) bisphosphate D-myo-inositol (2,4) bisphosphate I(2,4)P2 Ins(2,4)P2 myo-inositol (2,4) bisphosphate
metacyc.compound:CPD-6783 metacycM:CPD-6783 PUVHMWJJTITUGO-PTQMNWPWSA-J	D-myo-inositol (2,4) bisphosphate 1D-myo-inositol (2,4) bisphosphate I(2,4)P2 Ins(2,4)P2 myo-inositol (2,4) bisphosphate
seedM:M_cpd24659	secondary/obsolete/fantasy identifier