L-Ornithine, N5-[imino(α-D-ribofuranosylamino)methyl]-, (5′→P′)-ester with adenosine 5′-(trihydrogen diphosphate)

CAS Registry Number®

103960-56-1
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CAS Name

L-Ornithine, N5-[imino(α-D-ribofuranosylamino)methyl]-, (5′→P′)-ester with adenosine 5′-(trihydrogen diphosphate)

Molecular Formula

C21H35N9O15P2

Molecular Mass

715.50

Cite this Page

L-Ornithine, N5-[imino(α-D-ribofuranosylamino)methyl]-, (5′→P′)-ester with adenosine 5′-(trihydrogen diphosphate).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=103960-56-1 (retrieved 2024-09-21) (CAS RN: 103960-56-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H35N9O15P2/c22-8(20(35)36)2-1-3-25-21(24)29-18-14(33)12(31)9(43-18)4-41-46(37,38)45-47(39,40)42-5-10-13(32)15(34)19(44-10)30-7-28-11-16(23)26-6-27-17(11)30/h6-10,12-15,18-19,31-34H,1-5,22H2,(H,35,36)(H,37,38)(H,39,40)(H2,23,26,27)(H3,24,25,29)/t8-,9+,10+,12+,13+,14+,15+,18-,19+/m0/s1

InChIKey

InChIKey=IWVSYNGKNZFSSA-PTDVUUCPSA-N

SMILES

O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OC[C@H]4O[C@H](NC(NCCC[C@@H](C(O)=O)N)=N)[C@H](O)[C@@H]4O)(=O)O)(=O)O)[C@H]1O

Canonical SMILES

O=C(O)C(N)CCCNC(=N)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(N3C=NC=4C(=NC=NC43)N)C(O)C2O)C(O)C1O

Other Names for this Substance

  • L-Ornithine, N5-[imino(α-D-ribofuranosylamino)methyl]-, (5′→P′)-ester with adenosine 5′-(trihydrogen diphosphate)
  • L-Ornithine, N5-[[[5-O-[hydroxy(phosphonooxy)phosphinyl]-α-D-ribofuranosyl]amino]iminomethyl]-, P′→5′-ester with adenosine
  • ADP-ribosylarginine
  • α-ADP-ribosylarginine