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3-oxododecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104695

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	12

formula

C₃₃H₅₂N₇O₁₈P₃S

charge

-4

mass

959.23243

reference

chebi:62615

InChIKey

HQANBZHVWIDNQZ-GMHMEAMDSA-J

InChI

InChI=1S/C33H56N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-20,22,26-28,32,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t22-,26-,27-,28+,32-/m1/s1

SMILES

CCCCCCCCCC(=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:62615 chebi:62615	3-oxododecanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] diphosphate} 3-oxododecanoyl-CoA(4-) 3-oxolauroyl-CoA(4-)
bigg.metabolite:3oddcoa biggM:3oddcoa kegg.compound:C05263 keggC:C05263	3-Oxododecanoyl-CoA
sabiork.compound:2740 sabiorkM:2740	3-Oxododecanoyl-CoA 3-Ketododecanoyl-CoA
seed.compound:cpd03117 seedM:cpd03117	3-Oxododecanoyl-CoA 3-ketododecanoyl-CoA 3-oxododecanoyl-CoA 3-oxolauroyl-CoA 3oddcoa
SLM:000001024 slm:000001024	3-oxododecanoyl-CoA
metacyc.compound:CPD0-2105 metacycM:CPD0-2105	3-oxododecanoyl-CoA 3-ketododecanoyl-CoA 3-oxolauroyl-CoA
reactome:R-ALL-77253 reactomeM:R-ALL-77253 CHEBI:27868 chebi:27868	3-oxolauroyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3-oxododecanoyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate} 3-Oxododecanoyl-CoA 3-ketododecanoyl-CoA 3-ketododecanoyl-coenzyme A 3-ketolauroyl-CoA 3-ketolauroyl-coenzyme A 3-oxododecanoyl-coenzyme A 3-oxolauroyl-coenzyme A
lipidmaps:LMFA07050247 lipidmapsM:LMFA07050247	3-oxolauroyl-CoA 3-ketododecanoyl-CoA 3-ketododecanoyl-coenzyme A 3-ketolauroyl-CoA 3-ketolauroyl-coenzyme A 3-oxodecanoyl-CoA 3-oxododecanoyl-coenzyme A 3-oxolauroyl-coenzyme A CoA 12:1 O
chebi:1636 chebi:20169 biggM:M_3oddcoa keggC:M_C05263 seedM:M_cpd03117	secondary/obsolete/fantasy identifier