Molecule

2-acetamido-N'-(3-acetamido-5-{[3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl)butanediamide

AlkaPlorer ID: AK325161

Synonym: None

IUPAC Name: (2S)-2-acetamido-N'-[(3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4R,5S,6R)-3-acetamido-4-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]butanediamide

Structure

SMILES: CC(O)=N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](N=C(C)O)C(N=C(O)C[C@H](N=C(C)O)C(=N)O)O[C@@H]2CO)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O

InChI: InChI=1S/C28H47N5O18/c1-8(37)30-11(25(29)46)4-15(40)33-26-16(31-9(2)38)19(42)23(13(6-35)47-26)50-27-17(32-10(3)39)20(43)24(14(7-36)49-27)51-28-22(45)21(44)18(41)12(5-34)48-28/h11-14,16-24,26-28,34-36,41-45H,4-7H2,1-3H3,(H2,29,46)(H,30,37)(H,31,38)(H,32,39)(H,33,40)/t11-,12+,13+,14+,16+,17+,18+,19+,20+,21-,22-,23+,24+,26?,27-,28-/m0/s1

InChIKey: LUNCCTMWZWBSKQ-QHFAZAOBSA-N

Reference

Structure characterization of polypeptides of viscous glycoprotein from yam (Dioscorea opposita THUNB.) mucilage.

PubChem CID: 439212

LOTUS: LTS0148164

NPASS: NPC60523

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Daucus carota	Daucus	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ricinus communis	Ricinus	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe spicata	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Smilax china	Smilax	Smilacaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gastrodia elata	Gastrodia	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe ferox	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Smilax glabra	Smilax	Smilacaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aloe africana	Aloe	Asphodelaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 741.7010000000006

TPSA？: 382.4300000000001

MolLogP？: -4.370229999999987

Number of H-Donors: 14

Number of H-Acceptors: 18

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi

Metabolism Information

AKRT ID	Reaction	Reaction Link ID
AKRT002570	CC(=O)N[C@@H](CC(=O)NC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)C(N)=O.CCCCCCCCCCCCCCCC(=O)[CoA]>>CCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](CO)OC(NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](NC(C)=O)[C@H]3O)[C@H](NC(C)=O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O	enzymemap_28841