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nonanoyl-CoA

MNXM739193 is deprecated and here replaced by MNXM1104671
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104671

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	9

formula

C₃₀H₄₈N₇O₁₇P₃S

charge

-4

mass

903.20622

reference

chebi:76291

InChIKey

WLDUTYVSAGSKIV-FUEUKBNZSA-J

InChI

InChI=1S/C30H52N7O17P3S/c1-4-5-6-7-8-9-10-21(39)58-14-13-32-20(38)11-12-33-28(42)25(41)30(2,3)16-51-57(48,49)54-56(46,47)50-15-19-24(53-55(43,44)45)23(40)29(52-19)37-18-36-22-26(31)34-17-35-27(22)37/h17-19,23-25,29,40-41H,4-16H2,1-3H3,(H,32,38)(H,33,42)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t19-,23-,24-,25+,29-/m1/s1

SMILES

CCCCCCCCC(=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:76291 chebi:76291	nonanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} diphosphate) nonanoyl-CoA(4-) nonanoyl-coenzyme A(4-)
bigg.metabolite:noncoa biggM:noncoa	Nonanoyl Coenzyme A
sabiork.compound:5901 sabiorkM:5901 kegg.compound:C01942 keggC:C01942	Nonanoyl-CoA
seed.compound:cpd01333 seedM:cpd01333	Nonanoyl-CoA nonanoyl-CoA
metacyc.compound:CPD-7302 metacycM:CPD-7302	nonanoyl-CoA
lipidmaps:LMFA07050354 lipidmapsM:LMFA07050354	nonanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) CoA 9:0 CoA S-nonaoate Coenzyme A, S-nonanoate Nonanoyl-coa Nonanoyl-coenzyme A
CHEBI:27770 chebi:27770	nonanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(nonanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl} dihydrogen diphosphate) CoA S-nonaoate Coenzyme A, S-nonanoate Nonanoyl-CoA Nonanoyl-coa Nonanoyl-coenzyme A
chebi:25581 chebi:7617 biggM:M_noncoa keggC:M_C01942 seedM:M_cpd01333	secondary/obsolete/fantasy identifier