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Pectate

Properties

Image

Occurences in reactions

MNX_ID

MNXM739248

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

formula

C₁₈H₂₆O₁₉

charge

mass

546.10683

reference

sabiorkM:5104

InChIKey

LCLHHZYHLXDRQG-VKCONCONSA-N

InChI

InChI=1S/C18H26O19/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31)/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16+,17-,18-/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
sabiork.compound:5104 sabiorkM:5104	Pectate Pectic acid Poly(1,4-alpha-D-galacturonate) Poly(1,4-alpha-D-galacturonate)(m-2) Poly(1,4-alpha-D-galacturonate)(n) Poly(1,4-alpha-D-galacturonate)(n-1) alpha-D-Polygalacturonic acid
seed.compound:cpd11686 seedM:cpd11686	Pectate (1,4-alpha-D-Galacturonide)n (1,4-alpha-D-Galacturonide)n-1 (1,4-alpha-D-Galacturonosyl)n (1,4-alpha-D-Galacturonosyl)n+1 (1,4-alpha-D-galacturonide)n De-esterified pectin Pectic acid Poly(1,4-alpha-D-galacturonate) Poly(1,4-alpha-D-galacturonate)(m-2) Poly(1,4-alpha-D-galacturonate)(n) Poly(1,4-alpha-D-galacturonate)(n-1) alpha-D-Polygalacturonic acid
seedM:M_cpd11686	secondary/obsolete/fantasy identifier