PRD_900049

H type 1 antigen, beta anomer

PRD_900049 is described in the Biologically Interesting Molecule Reference Dictionary (BIRD).

The representative PDB ID is 1ZI5.

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Chemical Component Summary

NameH type 1 antigen, beta anomer
IdentifiersN-[6-(hydroxymethyl)-4-[6-(hydroxymethyl)-3-[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy- 2,5-bis(oxidanyl)oxan-3-yl]ethanamide
FormulaC20 H35 N O15
Molecular Weight529.49
TypeSACCHARIDE
Isomeric SMILESCC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(OC(C3O)CO)O)NC(=O)C)CO)O)O)O)O)O
InChIInChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23) 12(16)27/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
InChIKeyMGSDFCKWGHNUSM-QVPNGJTFSA-N
CompositionPolymer Sequences: NAG-GAL-FUC
BIRD classANTIGEN
Represented AsBRANCHED
Compound Detailsn/a
Descriptionn/a

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count15
Bond Count73
Aromatic Bond Count0

Drug Info: DrugBank

DrugBank IDDB04679 
NameHuman blood group H type 1 trisaccharide
Groups experimental
Synonyms
  • Human blood group H type 1 trisaccharide
  • H type I trisaccharide
  • H type I epitope
  • H type I
  • αLFuc(1-2)βDGal(1-3)βDGlcNAc
Categories
  • Antigens
  • Antigens, Neoplasm
  • Biological Factors
  • Biomarkers
  • Biomarkers, Tumor

Drug Targets

NameTarget SequencePharmacological ActionActions
Histo-blood group ABO system transferaseMAEVLRTLAGKPKCHALRPMILFLIMLVLVLFGYGVLSPRSLMPGSLERG...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 5326971
ChEBI CHEBI:59296