ADP-D-glycero-β-D-manno-heptose

ADP-D-glycero-β-D-<i>manno</i>-heptose




Chemical Formula:
C17H25N5O16P2
Molecular Weight:
617.356 Daltons
Monoisotopic Mass:
619.0928028663 Daltons
SMILES:
C(O)C(O)[CH]4(OC(OP(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)(=O)[O-])C(C(C4O)O)O)
InChI:
1S/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,33)(H2,18,19,20)/p-2/t5-,6-,8-,9+,10+,11-,12+,13-,16-,17+/m1/s1
InChIKey:
KMSFWBYFWSKGGR-FQBROAFUSA-L

Synonyms
  • 2-[[[5-[(6-amino-9H-purin-9-yl)]-3,4-dihydroxy-tetrahydrofuran- 2-yl]methoxy-hydroxy-phosphinoyl]oxy-hydroxy-phosphinoyl]oxy-6- (1,2-dihydroxyethyl)tetrahydropyran-3,4,5-triol
  • ADP-D-β-D-heptose

Databases
MetaCyc:  ADP-D-GLYCERO-D-MANNO-HEPTOSE
BiGG:  adphep_DD
HMDB:  HMDB29952
ChEBI:  59967
PubChem (CID):  46173177
CAS:  119-61-9
KEGG:  C06397
MetaNetX:  MNXM1648