myo-inositol 1,3-bisphosphate (CHEBI:18225)

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ChEBI Name	myo-inositol 1,3-bisphosphate

ChEBI ID	CHEBI:18225

ChEBI ASCII Name	myo-inositol 1,3-bisphosphate

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:43416, CHEBI:4275, CHEBI:12893, CHEBI:19191

Supplier Information

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Formula

C6H14O12P2

Net Charge

Average Mass

340.11568

Monoisotopic Mass

339.99605

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-

InChIKey

PUVHMWJJTITUGO-FICORBCRSA-N

SMILES

O[C@H]1[C@H](O)[C@@H](OP(O)(O)=O)[C@@H](O)[C@@H](OP(O)(O)=O)[C@@H]1O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

ChEBI Ontology
Outgoing	myo-inositol 1,3-bisphosphate (CHEBI:18225) has functional parent myo-inositol (CHEBI:17268) myo-inositol 1,3-bisphosphate (CHEBI:18225) has role human metabolite (CHEBI:77746) myo-inositol 1,3-bisphosphate (CHEBI:18225) is a myo-inositol bisphosphate (CHEBI:25443) myo-inositol 1,3-bisphosphate (CHEBI:18225) is conjugate acid of 1D-myo-inositol 1,3-biphosphate(4−) (CHEBI:83242)

Incoming	1D-myo-inositol 1,3-biphosphate(4−) (CHEBI:83242) is conjugate base of myo-inositol 1,3-bisphosphate (CHEBI:18225)

IUPAC Name

myo-inositol 1,3-bis(dihydrogen phosphate)

Synonyms	Sources
1D-myo-Inositol 1,3-bisphosphate	KEGG COMPOUND
D-myo-Inositol 1,3-bisphosphate	KEGG COMPOUND
Inositol 1,3-bisphosphate	KEGG COMPOUND
myo-Inositol 1,3-bisphosphate	KEGG COMPOUND
PHOSPHORIC ACID MONO-(2,3,4,6-TETRAHYDROXY-5-PHOSPHONOOXY-CYCLOHEXYL) ESTER	PDBeChem

Registry Number	Type	Source
103597-56-4	CAS Registry Number	KEGG COMPOUND

Last Modified

07 January 2019