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(S)-carnitinyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM3411

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	3

formula

C₂₈H₄₆N₈O₁₈P₃S

charge

-3

mass

907.18801

reference

chebi:62047

InChIKey

BBRISSLDTUHWKG-ZORKKWTOSA-K

InChI

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+/m0/s1

SMILES

CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)C[N+](C)(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:62047 chebi:62047	(S)-carnitinyl-CoA (S)-carnitinyl-CoA(3-) D-carnitinyl-CoA(3-)
lipidmaps:LMFA07050162 lipidmapsM:LMFA07050162	(S)-carnitinyl-CoA betaine (S)-carnitinyl-CoA inner salt 3S-hydroxy-5-trimethylammonio-pentanoyl-CoA D-carnitinyl-CoA betaine D-carnitinyl-CoA inner salt
CHEBI:62194 chebi:62194	(S)-carnitinyl-CoA betaine (S)-carnitinyl-CoA inner salt D-carnitinyl-CoA betaine D-carnitinyl-CoA inner salt
metacyc.compound:D-CARNITINYL-COA metacycM:D-CARNITINYL-COA	(S)-carnitinyl-CoA D-carnitinyl-CoA
bigg.metabolite:crnDcoa biggM:crnDcoa	D-carnitinyl-CoA
seed.compound:cpd15439 seedM:cpd15439	D-carnitinyl-CoA crnDcoa
biggM:M_crnDcoa seedM:M_cpd15439	secondary/obsolete/fantasy identifier