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eicosanoyl-CoA

MNXM728390 is deprecated and here replaced by MNXM1103962
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103962

	#reac
in my sandbox	0
in MNXref (generic)	61
in models (compartimentalized)	67

formula

C₄₁H₇₀N₇O₁₇P₃S

charge

-4

mass

1057.37837

reference

chebi:57380

InChIKey

JYLSVNBJLYCSSW-IBYUJNRCSA-J

InChI

InChI=1S/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40(63-30)48-29-47-33-37(42)45-28-46-38(33)48/h28-30,34-36,40,51-52H,4-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/t30-,34-,35-,36+,40-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCC(=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:57380 chebi:57380	eicosanoyl-CoA 3'-phosphonatoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(icosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} diphosphate) eicosanoyl-CoA(4-) icosanoyl-CoA(4-)
lipidmaps:LMFA07050329 lipidmapsM:LMFA07050329	Arachidoyl-CoA CoA 20:0 Eicosanoyl-CoA icosanoyl-CoA
bigg.metabolite:arachcoa biggM:arachcoa	Arachidyl coenzyme A
sabiork.compound:2363 sabiorkM:2363 kegg.compound:C02041 keggC:C02041	Eicosanoyl-CoA Arachidoyl-CoA Icosanoyl-CoA
seed.compound:cpd01393 seedM:cpd01393	Icosanoyl-CoA Arachidoyl-CoA Eicosanoyl-CoA arachidoyl-CoA eicosanoyl-CoA icosanoyl-CoA
metacyc.compound:CPD-9965 metacycM:CPD-9965	arachidoyl-CoA eicosanoyl-CoA icosanoyl-CoA
SLM:000000485 slm:000000485	eicosanoyl-CoA
reactome:R-ALL-548794 reactomeM:R-ALL-548794 CHEBI:15527 chebi:15527	icosanoyl-CoA 3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(icosanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate) Arachidoyl-CoA Eicosanoyl-CoA arachidoyl-CoA eicosanoyl-CoA
chebi:14432 chebi:23900 chebi:4763 biggM:M_arachcoa keggC:M_C02041 seedM:M_cpd01393	secondary/obsolete/fantasy identifier