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salicin-6-phosphate

PropertiesImage
MNX_IDMNXM3356 Image of MNXM3356
referencechebi:64794
formulaC13H17O10P
global charge-2
mol weight364.243
InChIKeyFSJKOMDYZYBBLV-UJPOAAIJSA-L
InChIInChI=1S/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/p-2/t9-,10-,11+,12-,13-/m1/s1
SMILESO=P([O-])([O-])OC[C@H]1O[C@@H](OC2=C(CO)C=CC=C2)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)/t9-,10-,11+,12-,13-/m1/s1 Image of MNXM3356
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:8]([O:22][C@H:13]2[C@H:12]([OH:17])[C@@H:11]([OH:16])[C@H:10]([OH:15])[C@@H:9]([CH2:6][O:21][P:24]([OH:18])([OH:19])=[O:20])[O:23]2)[C:7]([CH2:5][OH:14])=[CH:3]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)8
in models (compartimentalized) 3
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:64794
chebi:64794
FSJKOMDYZYBBLV-UJPOAAIJSA-L 		salicin-6-phosphate
2-(hydroxymethyl)phenyl 6-O-phosphonato-beta-D-glucopyranoside
[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-tetrahydropyran-2-yl]methoxyphosphonic acid(2-)
salicin-6-phosphate dianion
salicin-6-phosphate(2-)

bigg.metabolite:salcn6p
biggM:salcn6p
vmhM:salc6p
vmhM:salc6p
vmhmetabolite:salc6p
vmhmetabolite:salc6p
FSJKOMDYZYBBLV-UJPOAAIJSA-L 		Salicin 6-phosphate

sabiork.compound:1856
sabiorkM:1856
kegg.compound:C06188
keggC:C06188
FSJKOMDYZYBBLV-UJPOAAIJSA-N 		Salicin 6-phosphate
Salicin-6P

seed.compound:cpd03698
seedM:cpd03698
FSJKOMDYZYBBLV-UJPOAAIJSA-L 		Salicin-6P
Salicin 6-phosphate
[3,4,5-trihydroxy-6-[2-(hydroxymethyl)phenoxy]-tetrahydropyran-2-yl]methoxyphosphonic acid
salc6p
salicin 6-phosphate
salicin-6-p
salicin-6-phosphate

metacyc.compound:CPD-1181
metacycM:CPD-1181
FSJKOMDYZYBBLV-UJPOAAIJSA-L 		salicin 6-phosphate
2-(hydroxymethyl)phenyl 6-O-phospho-beta-D-glucopyranoside
salicin-6P

CHEBI:9003
chebi:9003
FSJKOMDYZYBBLV-UJPOAAIJSA-N 		salicin 6-phosphate
2-(hydroxymethyl)phenyl 6-O-phosphono-beta-D-glucopyranoside
Salicin 6-phosphate
Salicin-6P

biggM:M_salcn6p
keggC:M_C06188
seedM:M_cpd03698
vmhM:M_salc6p 		secondary/obsolete/fantasy identifier