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3-oxohexacosanoyl-CoA

MNXM36758 is deprecated and here replaced by MNXM1106079
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106079

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	8

formula

C₄₇H₈₀N₇O₁₈P₃S

charge

-4

mass

1155.45153

reference

chebi:73980

InChIKey

VOMUIFOBQMYJPJ-CPIGOPAHSA-J

InChI

InChI=1S/C47H84N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-34,36,40-42,46,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t36-,40-,41-,42+,46-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCCCCCC(=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:73980 chebi:73980	3-oxohexacosanoyl-CoA 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] diphosphate} 3-ketocerotoyl-CoA(4-) 3-ketohexacosanoyl-CoA(4-) 3-ketohexacosanoyl-coenzyme A(4-) 3-oxocerotoyl-CoA(4-) 3-oxohexacosanoyl-CoA(4-) 3-oxohexacosanoyl-coenzyme A(4-)
bigg.metabolite:3ohxccoa biggM:3ohxccoa	3 Oxohexacosyl CoA
hmdb:HMDB0060241	3-Oxohexacosyl-CoA 3-Ketocerotoyl-CoA 3-Ketohexacosanoyl-CoA 3-Ketohexacosanoyl-coenzyme A 3-Oxocerotoyl-CoA 3-Oxohexacosanoyl-coenzyme A 3-oxocerotoyl-coa {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-{[2-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
lipidmaps:LMFA07050241 lipidmapsM:LMFA07050241	3-ketocerotoyl-CoA 3-ketohexacosanoyl-CoA 3-ketohexacosanoyl-coenzyme A 3-oxocerotoyl-CoA 3-oxohexacosanoyl-CoA 3-oxohexacosanoyl-coenzyme A CoA 26:1 O
seed.compound:cpd24265 seedM:cpd24265	3-oxo-cerotoyl-CoA 3-oxohexacosanoyl-CoA
metacyc.compound:CPD-14274 metacycM:CPD-14274	3-oxocerotoyl-CoA 3-oxohexacosanoyl-CoA
SLM:000000589 slm:000000589	3-oxohexacosanoyl-CoA
reactome:R-ALL-390241 reactomeM:R-ALL-390241 reactome:R-ALL-548797 reactomeM:R-ALL-548797 CHEBI:52977 chebi:52977	3-oxohexacosanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(3-oxohexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} 3-ketocerotoyl-CoA 3-ketohexacosanoyl-CoA 3-ketohexacosanoyl-coenzyme A 3-oxocerotoyl-CoA 3-oxohexacosanoyl-coenzyme A
hmdb:HMDB60241 chebi:52370 chebi:52959 biggM:M_3ohxccoa seedM:M_cpd24265	secondary/obsolete/fantasy identifier