L-carnitinyl-CoA

Chemical Formula:

C₂₈H₄₆N₈O₁₈P₃S

Molecular Weight:

907.695 Daltons

Monoisotopic Mass:

911.2176620644 Daltons

SMILES:

CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(C[N+](C)(C)C)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/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33-25(20)35/h14-17,21-23,27,37,40-41H,6-13H2,1-5H3,(H7-,29,30,31,32,33,38,42,43,44,45,46,47,48,49)/p-3/t16-,17-,21-,22-,23+,27-/m1/s1

InChIKey:

BBRISSLDTUHWKG-PVMHLSDZSA-K

Synonyms

L-carnityl-CoA
(3R)-3-hydroxy-4-(trimethylamino)butanoyl-CoA

Databases

MetaCyc: L-CARNITINYL-COA

BiGG: crncoa

PubChem (CID): 49852355

ChEBI: 60932

MetaNetX: MNXM1451

KEGG: C20750