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(R)-carnitinyl-CoA

PropertiesImage
MNX_IDMNXM728470 Image of MNXM728470
referencechebi:60932
formulaC28H46N8O18P3S
global charge-3
mol weight907.703
InChIKeyBBRISSLDTUHWKG-PVMHLSDZSA-K
InChIInChI=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
SMILESCC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[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
MNX internals
InChI (mnx)InChI=1/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)/t16-,17-,21-,22-,23+,27-/m1/s1 Image of MNXM728470
SMILES (mnx)[CH3:1][C:28]([CH3:2])([CH2:13][O:51][P:57](=[O:48])([O-:49])[O:54][P:56]([OH:46])(=[O:47])[O:50][CH2:12][C@@H:17]1[C@@H:22]([O:53][P:55](=[O:43])([OH:44])[OH:45])[C@@H:21]([OH:40])[C@H:27]([N:35]2[CH:15]=[N:34][C:20]3=[C:24]([NH2:29])[N:32]=[CH:14][N:33]=[C:25]32)[O:52]1)[C@H:23]([C:26](=[N:31][CH2:7][CH2:6][C:18](=[N:30][CH2:8][CH2:9][S:58][C:19]([CH2:10][C@H:16]([CH2:11][N+:36]([CH3:3])([CH3:4])[CH3:5])[OH:37])=[O:39])[OH:38])[OH:42])[OH:41]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)12
in models (compartimentalized) 10
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:60932
chebi:60932
BBRISSLDTUHWKG-PVMHLSDZSA-K 		(R)-carnitinyl-CoA
(R)-carnitinyl-CoA(3-)
L-carnitinyl-CoA(3-)
R-carnitinyl-CoA(3-)

lipidmaps:LMFA07050150
lipidmapsM:LMFA07050150
BBRISSLDTUHWKG-PVMHLSDZSA-N 		(R)-carnitinyl-CoA betaine
2R-hydroxy-4-trimethylammonio-butanoyl-CoA
L-CARNITINYL-COA INNER SALT
L-carnitinyl-CoA betaine
R-carnitinyl-CoA inner salt

CHEBI:41482
chebi:41482
BBRISSLDTUHWKG-PVMHLSDZSA-N 		(R)-carnitinyl-CoA betaine
L-CARNITINYL-COA INNER SALT
L-carnitinyl-CoA betaine
R-carnitinyl-CoA inner salt

metacyc.compound:L-CARNITINYL-COA
metacycM:L-CARNITINYL-COA
BBRISSLDTUHWKG-PVMHLSDZSA-K 		(R)-carnitinyl-CoA
(3R)-3-hydroxy-4-(trimethylamino)butanoyl-CoA
L-carnitinyl-CoA
L-carnityl-CoA

seed.compound:cpd15440
seedM:cpd15440
BBRISSLDTUHWKG-PVMHLSDZSA-K 		Carnitinyl-CoA
(3R)-3-hydroxy-4-(trimethylamino)butanoyl-CoA
L-Carnitinyl-CoA
L-carnitinyl-CoA
L-carnityl-CoA
crncoa

bigg.metabolite:crncoa
biggM:crncoa
sabiork.compound:31694
sabiorkM:31694
kegg.compound:C20750
keggC:C20750
vmhM:crncoa
vmhmetabolite:crncoa
BBRISSLDTUHWKG-PVMHLSDZSA-K
BBRISSLDTUHWKG-PVMHLSDZSA-O 		L-Carnitinyl-CoA

biggM:M_crncoa
keggC:M_C20750
seedM:M_cpd15440
vmhM:M_crncoa 		secondary/obsolete/fantasy identifier