5-aminolevulinyl-CoA

Chemical Formula:

C₂₆H₄₀N₈O₁₈P₃S

Molecular Weight:

877.626 Daltons

Monoisotopic Mass:

881.1707118718 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC(C[N+])=O)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-]

InChI:

1S/C26H43N8O18P3S/c1-26(2,21(39)24(40)30-6-5-16(36)29-7-8-56-17(37)4-3-14(35)9-27)11-49-55(46,47)52-54(44,45)48-10-15-20(51-53(41,42)43)19(38)25(50-15)34-13-33-18-22(28)31-12-32-23(18)34/h12-13,15,19-21,25,38-39H,3-11,27H2,1-2H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-3/t15-,19-,20-,21+,25-/m1/s1

InChIKey:

USHTXQXRLUTZHZ-ZMHDXICWSA-K

Synonyms

5-aminolevulinyl-coenzyme A

Databases

MetaCyc: CPD-16937

PubChem (CID): 90658122

MetaNetX: MNXM147388