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hexacosanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103880

	#reac
in my sandbox	0
in MNXref (generic)	31
in models (compartimentalized)	37

formula

C₄₇H₈₂N₇O₁₇P₃S

charge

-4

mass

1141.47227

reference

chebi:64868

InChIKey

FHLYYFPJDVYWQH-CPIGOPAHSA-J

InChI

InChI=1S/C47H86N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-38(56)75-31-30-49-37(55)28-29-50-45(59)42(58)47(2,3)33-68-74(65,66)71-73(63,64)67-32-36-41(70-72(60,61)62)40(57)46(69-36)54-35-53-39-43(48)51-34-52-44(39)54/h34-36,40-42,46,57-58H,4-33H2,1-3H3,(H,49,55)(H,50,59)(H,63,64)(H,65,66)(H2,48,51,52)(H2,60,61,62)/p-4/t36-,40-,41-,42+,46-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCC(=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:64868 chebi:64868	hexacosanoyl-CoA 26:0 CoA(4-) 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexacosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} diphosphate) C26:0-CoA(4-) C26:0-coenzyme A(4-) cerotoyl-CoA(4-) cerotoyl-coenzyme A(4-) hexacosanoyl-CoA(4-) hexacosanoyl-coenzyme A(4-)
lipidmaps:LMFA07050327 lipidmapsM:LMFA07050327	Cerotoyl-CoA C26:0-CoA C26:0-coenzyme A CoA 26:0 Hexacosanoyl-CoA cerotoyl-coenzyme A hexacosanoyl-CoA (N-C26:0CoA) hexacosanoyl-coenzyme A
kegg.compound:C21932 keggC:C21932	Cerotoyl-CoA Hexacosanoyl-CoA
bigg.metabolite:hexccoa biggM:hexccoa	Hexacosanoyl CoA n C260CoA
sabiork.compound:20025 sabiorkM:20025	Hexacosanoyl-CoA
seed.compound:cpd26581 seedM:cpd26581	cerotoyl-CoA cerotoyl-coa
metacyc.compound:CPD1G-277 metacycM:CPD1G-277	cerotoyl-CoA hexacosanoyl-CoA
SLM:000000385 slm:000000385	hexacosanoyl-CoA
reactome:R-ALL-390260 reactomeM:R-ALL-390260 reactome:R-ALL-390394 reactomeM:R-ALL-390394 CHEBI:52966 chebi:52966	hexacosanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-({2-[(hexacosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}butyl] dihydrogen diphosphate} C26:0-CoA C26:0-coenzyme A cerotoyl-CoA cerotoyl-coenzyme A hexacosanoyl-CoA (N-C26:0CoA) hexacosanoyl-coenzyme A
biggM:M_hexccoa keggC:M_C21932 seedM:M_cpd26581	secondary/obsolete/fantasy identifier