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bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate

PropertiesImage
MNX_IDMNXM5076 Image of MNXM5076
referencechebi:62576
formulaC12H21O17P2
global charge-3
mol weight499.231
InChIKeyZFRNHZNPYSOZBU-MCUIPIIISA-K
InChIInChI=1S/C12H24O17P2/c13-1-2(14)5(17)10(6(18)3(1)15)28-31(25,26)29-12-8(20)4(16)7(19)11(9(12)21)27-30(22,23)24/h1-21H,(H,25,26)(H2,22,23,24)/p-3/t1-,2-,3+,4-,5-,6-,7-,8+,9+,10-,11+,12-/m0/s1
SMILESO=P([O-])([O-])O[C@H]1[C@@H](O)[C@@H](OP(=O)([O-])O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C12H24O17P2/c13-1-2(14)5(17)10(6(18)3(1)15)28-31(25,26)29-12-8(20)4(16)7(19)11(9(12)21)27-30(22,23)24/h1-21H,(H,25,26)(H2,22,23,24)/t1-,2-,3+,4-,5-,6-,7-,8+,9+,10-,11+,12-/m0/s1 Image of MNXM5076
SMILES (mnx)[C@H:1]1([OH:13])[C@H:2]([OH:14])[C@H:5]([OH:17])[C@H:10]([O:28][P:31]([OH:25])(=[O:26])[O:29][C@H:12]2[C@H:8]([OH:20])[C@@H:4]([OH:16])[C@H:7]([OH:19])[C@@H:11]([O:27][P:30]([OH:22])([OH:23])=[O:24])[C@H:9]2[OH:21])[C@@H:6]([OH:18])[C@@H:3]1[OH:15]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:62576
chebi:62576
ZFRNHZNPYSOZBU-MCUIPIIISA-K 		bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate
(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl (1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonatooxy)cyclohexyl phosphate
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate(3-)

kegg.compound:C19799
keggC:C19799
ZFRNHZNPYSOZBU-MCUIPIIISA-N 		Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate

seed.compound:cpd21043
seedM:cpd21043
ZFRNHZNPYSOZBU-MCUIPIIISA-K 		Bis(1L-myo-inositol)-3,1'-phosphate 1-phosphate
L,L-di-myo-inositol 1,3'-phosphate 1'-phosphate
bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate

CHEBI:62574
chebi:62574
ZFRNHZNPYSOZBU-MCUIPIIISA-N 		bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate
(1R,2S,3S,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-[(hydroxy{[(1R,2S,3R,4R,5S,6S)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]cyclohexyl dihydrogen phosphate

metacyc.compound:CPD-12856
metacycM:CPD-12856
ZFRNHZNPYSOZBU-MCUIPIIISA-K 		bis(1L-myo-inositol) 3,1'-phosphate 1-phosphate
L,L-di-myo-inositol 1,3'-phosphate 1'-phosphate

keggC:M_C19799
seedM:M_cpd21043 		secondary/obsolete/fantasy identifier