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(3R)-3-isopropenyl-6-oxoheptanoyl-CoA

MNXM13558 is deprecated and here replaced by MNXM728154
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM728154

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

formula

C₃₁H₅₀N₇O₁₈P₃S

charge

mass

933.21459

reference

chebi:29004

InChIKey

VMTHAXKUEKKCEY-PDQACDDGSA-N

InChI

InChI=1S/C31H50N7O18P3S/c1-17(2)19(7-6-18(3)39)12-22(41)60-11-10-33-21(40)8-9-34-29(44)26(43)31(4,5)14-53-59(50,51)56-58(48,49)52-13-20-25(55-57(45,46)47)24(42)30(54-20)38-16-37-23-27(32)35-15-36-28(23)38/h15-16,19-20,24-26,30,42-43H,1,6-14H2,2-5H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t19-,20-,24-,25-,26+,30-/m1/s1

SMILES

C=C(C)[C@H](CCC(C)=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:29004 chebi:29004	(3R)-3-isopropenyl-6-oxoheptanoyl-CoA (3R)-3-Isopropenyl-6-oxoheptanoyl-CoA (3R)-3-isopropenyl-6-oxoenanthoyl-CoA (3R)-3-isopropenyl-6-oxoenanthoyl-coenzyme A (3R)-3-isopropenyl-6-oxoheptanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
kegg.compound:C11407 keggC:C11407	(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA
seed.compound:cpd08261 seedM:cpd08261	(3R)-3-Isopropenyl-6-oxoheptanoyl-CoA (3R)-3-isopropenyl-6-oxoheptanoyl-CoA
metacyc.compound:CPD-10054 metacycM:CPD-10054	(3R)-3-isopropenyl-6-oxoheptanoyl-CoA
lipidmaps:LMFA07050114 lipidmapsM:LMFA07050114	(3R)-3-isopropenyl-6-oxoheptanoyl-CoA (3R)-3-isopropenyl-6-oxoenanthoyl-CoA (3R)-3-isopropenyl-6-oxoenanthoyl-coenzyme A (3R)-3-isopropenyl-6-oxoheptanoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3R)-6-oxo-3-(prop-1-en-2-yl)heptanoyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate} CoA 10:2 O
chebi:18561 chebi:203 keggC:M_C11407 seedM:M_cpd08261	secondary/obsolete/fantasy identifier