Summary
IMPPAT Phytochemical identifier: IMPHY004246
Phytochemical name: alpha-D-galactopyranuronic acid
Synonymous chemical names:calcium pectate, homogalacturonan, pectine
External chemical identifiers:CID:445929, ChEBI:33885, ZINC:ZINC000004228259, FDASRS:CEP8I6411H, SureChEMBL:SCHEMBL12468784
Chemical structure information
SMILES:
O[C@H]1O[C@H](C(=O)O)[C@@H]([C@@H]([C@H]1O)O)OInChI:
InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3+,4-,6-/m0/s1InChIKey:
AEMOLEFTQBMNLQ-BKBMJHBISA-NDeepSMILES:
O[C@H]O[C@H]C=O)O))[C@@H][C@@H][C@H]6O))O))OFunctional groups:
CC(=O)O, CO, CO[C@@H](C)O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCOCC1Scaffold Graph/Node level:
C1CCOCC1Scaffold Graph level:
C1CCCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organic oxygen compoundsClassyFire Class: Organooxygen compounds
ClassyFire Subclass: Carbohydrates and carbohydrate conjugates
NP Classifier Biosynthetic pathway: Carbohydrates
NP Classifier Superclass: Saccharides
NP Classifier Class: Monosaccharides
NP-Likeness score: 2.023
Chemical structure download