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(3R)-citramalyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM17060

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₆H₃₇N₇O₂₀P₃S

charge

-5

mass

892.10544

reference

chebi:75637

InChIKey

XYGOWHUIVNMEIA-FCVHJOHKSA-I

InChI

InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/p-5/t13-,17-,18-,19+,23-,26-/m1/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@@](C)(O)C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:75637 chebi:75637	(3R)-citramalyl-CoA (3R)-citramalyl-CoA(5-) (3R)-citramalyl-coenzyme A(5-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-carboxylato-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd31318 seedM:cpd31318 kegg.compound:C20746 keggC:C20746	(3R)-Citramalyl-CoA (R)-Citramalyl-CoA D-Citramalyl-CoA
CHEBI:75860 chebi:75860	(3R)-citramalyl-CoA (3R)-citramalyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(3R)-3-carboxy-3-hydroxybutanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} D-citramalyl-CoA
metacyc.compound:CPD-9414 metacycM:CPD-9414	(3R)-citramalyl-CoA D-citramalyl-CoA
seed.compound:cpd25680 seedM:cpd25680	(R)-citramalyl-CoA (3R)-citramalyl-CoA D-citramalyl-CoA
keggC:M_C20746 seedM:M_cpd25680 seedM:M_cpd31318	secondary/obsolete/fantasy identifier