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an unsaturated pectate trisaccharide

PropertiesImageOccurences in reactions
MNX_IDMNXM22175Image of MNXM22175
#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
formulaC18H21O18
charge-3
mass525.07443
referencemetacycM:CPD-17706
InChIKeyOJSLFVXSYWEYPC-JKDSQNFWSA-K
InChIInChI=1S/C18H24O18/c19-2-1-3(13(25)26)32-17(4(2)20)34-10-6(22)8(24)18(36-12(10)15(29)30)35-9-5(21)7(23)16(31)33-11(9)14(27)28/h1-2,4-12,16-24,31H,(H,25,26)(H,27,28)(H,29,30)/p-3/t2-,4+,5+,6+,7+,8+,9+,10+,11-,12-,16-,17+,18-/m0/s1
SMILESO=C([O-])C1=C[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@@H](C(=O)[O-])O[C@H](O[C@H]3[C@@H](C(=O)[O-])O[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)O1
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
metacyc.compound:CPD-17706
metacycM:CPD-17706
seed.compound:cpd32404
seedM:cpd32404
an unsaturated pectate trisaccharide
CHEBI:176866
chebi:176866
Delta4,5-unsaturated trigalacturonate
(3R,4S)-2-[(2S,3R,4R,5R)-2-carboxy-6-[(2S,4R,5R)-2-carboxy-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylic acid
seed.compound:cpd23426
seedM:cpd23426
delta4,5-unsaturated trigalacturonate
unsaturated trigalacturonate
seedM:M_cpd23426
seedM:M_cpd32404
secondary/obsolete/fantasy identifier