(stearoyl)adenylate

Chemical Formula:

C₂₈H₄₇N₅O₈P

Molecular Weight:

612.682 Daltons

Monoisotopic Mass:

613.3240500536 Daltons

SMILES:

CCCCCCCCCCCCCCCCCC(OP(OCC3(C(C(C(N2(C1(=C(C(=NC=N1)N)N=C2)))O3)O)O))([O-])=O)=O

InChI:

1S/C28H48N5O8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(34)41-42(37,38)39-18-21-24(35)25(36)28(40-21)33-20-32-23-26(29)30-19-31-27(23)33/h19-21,24-25,28,35-36H,2-18H2,1H3,(H,37,38)(H2,29,30,31)/p-1/t21-,24-,25-,28-/m1/s1

InChIKey:

SWOLRYFPKWBFHG-VGSCBBJJSA-M

Synonyms

(octadecanoyl)adenylate

Databases

MetaCyc: CPD-18712

PubChem (CID): 122706278

MetaNetX: MNXM169132

ChEBI: 142984