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gamma-butyrobetainyl-CoA

MNXM5762 is deprecated and here replaced by MNXM738399
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM738399

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	4

formula

C₂₈H₄₆N₈O₁₇P₃S

charge

-3

mass

891.19309

reference

chebi:61513

InChIKey

QAMRRBGWSPTAEJ-SVHODSNWSA-K

InChI

InChI=1S/C28H49N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,39-40H,6-14H2,1-5H3,(H7-,29,30,31,32,33,37,41,42,43,44,45,46,47,48)/p-3/t17-,21-,22-,23+,27-/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)CCC[N+](C)(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:61513 chebi:61513	gamma-butyrobetainyl-CoA gamma-butyrobetaine-CoA gamma-butyrobetainyl-CoA trianion gamma-butyrobetainyl-CoA(3-)
kegg.compound:C20749 keggC:C20749	4-Trimethylammoniobutanoyl-CoA gamma-Butyrobetainyl-CoA
bigg.metabolite:bbtcoa biggM:bbtcoa	Gamma-butyrobetainyl-CoA
seed.compound:cpd15412 seedM:cpd15412	gamma-butyrobetainyl-CoA 4-(trimethylammonio)butanoayl-CoA 4-Trimethylammoniobutanoyl-CoA bbtcoa gamma-Butyrobetainyl-CoA gamma-butyrobetaine-CoA
metacyc.compound:GAMMA-BUTYROBETAINYL-COA metacycM:GAMMA-BUTYROBETAINYL-COA	gamma-butyrobetainyl-CoA 4-(trimethylammonio)butanoayl-CoA gamma-butyrobetaine-CoA
CHEBI:61517 chebi:61517 lipidmaps:LMFA07050321 lipidmapsM:LMFA07050321	gamma-butyrobetainyl-CoA 4-trimethylammoniobutanoyl-CoA 4-trimethylammoniobutanoyl-coenzyme A gamma-butyrobetainyl-coenzyme A
biggM:M_bbtcoa keggC:M_C20749 seedM:M_cpd15412	secondary/obsolete/fantasy identifier