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3,5,7-trioxododecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM97037

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	0

formula

C₃₃H₄₈N₇O₂₀P₃S

charge

-4

mass

987.19096

reference

chebi:66957

InChIKey

VHFNTMSJVWRHBO-GMHMEAMDSA-J

InChI

InChI=1S/C33H52N7O20P3S/c1-4-5-6-7-19(41)12-20(42)13-21(43)14-24(45)64-11-10-35-23(44)8-9-36-31(48)28(47)33(2,3)16-57-63(54,55)60-62(52,53)56-15-22-27(59-61(49,50)51)26(46)32(58-22)40-18-39-25-29(34)37-17-38-30(25)40/h17-18,22,26-28,32,46-47H,4-16H2,1-3H3,(H,35,44)(H,36,48)(H,52,53)(H,54,55)(H2,34,37,38)(H2,49,50,51)/p-4/t22-,26-,27-,28+,32-/m1/s1

SMILES

CCCCCC(=O)CC(=O)CC(=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:66957 chebi:66957	3,5,7-trioxododecanoyl-CoA 3,5,7-trioxododecanoyl-CoA(4-) 3,5,7-trioxododecanoyl-coenzyme A(4-) 3,5,7-trioxolauroyl-CoA(4-) 3,5,7-trioxolauroyl-coenzyme A(4-)
kegg.compound:C20413 keggC:C20413	3,5,7-Trioxododecanoyl-CoA
seed.compound:cpd31093 seedM:cpd31093	3,5,7-Trioxododecanoyl-CoA 3,5,7-trioxododecanoyl-CoA
metacyc.compound:CPD-14615 metacycM:CPD-14615	3,5,7-trioxododecanoyl-CoA
CHEBI:67089 chebi:67089	3,5,7-trioxododecanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3,5,7-trioxododecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) 3,5,7-trioxododecanoyl-coenzyme A 3,5,7-trioxolauroyl-CoA 3,5,7-trioxolauroyl-coenzyme A
lipidmaps:LMFA07050199 lipidmapsM:LMFA07050199	3,5,7-trioxododecanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(3,5,7-trioxododecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate) 3,5,7-trioxododecanoyl-coenzyme A 3,5,7-trioxolauroyl-CoA 3,5,7-trioxolauroyl-coenzyme A CoA 12:3 O3
keggC:M_C20413 seedM:M_cpd31093	secondary/obsolete/fantasy identifier