Metabolites-BOC Sciences

Adenophostin B

Adenophostin B - CAS 149091-93-0

Catalog number: BBF-00036

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Catalog Number BBF-00036
CAS 149091-93-0
Description Adenophostin B is an inositol-1,4,5-triphosphate receptor antagonist produced from Penicillurn brevicompactum SANK 11991. Adenophostin is a potent inositol trisphosphate (IP3) receptor agonist.
Molecular Formula C18H28N5O19P3
Molecular Weight 711.36
IUPAC Name [(2R,3R,4R,5R,6R)-6-[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-phosphonooxyoxolan-3-yl]oxy-5-hydroxy-3,4-diphosphonooxyoxan-2-yl]methyl acetate
Canonical SMILES CC(=O)OCC1C(C(C(C(O1)OC2C(OC(C2OP(=O)(O)O)N3C=NC4=C(N=CN=C43)N)CO)O)OP(=O)(O)O)OP(=O)(O)O
InChI InChI=1S/C18H28N5O19P3/c1-6(25)36-3-8-12(40-43(27,28)29)13(41-44(30,31)32)10(26)18(38-8)39-11-7(2-24)37-17(14(11)42-45(33,34)35)23-5-22-9-15(19)20-4-21-16(9)23/h4-5,7-8,10-14,17-18,24,26H,2-3H2,1H3,(H2,19,20,21)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)/t7-,8-,10-,11-,12-,13-,14-,17-,18-/m1/s1
InChI Key ZYMMXLQDBUGSID-WKGHCRPTSA-N
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