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(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1104511

	#reac
in my sandbox	0
in MNXref (generic)	25
in models (compartimentalized)	39

formula

C₄₃H₆₄N₇O₁₇P₃S

charge

-4

mass

1075.33142

reference

chebi:73870

InChIKey

NDRVWKXEWNMEEO-HVGANWHPSA-J

InChI

InChI=1S/C43H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-34(52)71-27-26-45-33(51)24-25-46-41(55)38(54)43(2,3)29-64-70(61,62)67-69(59,60)63-28-32-37(66-68(56,57)58)36(53)42(65-32)50-31-49-35-39(44)47-30-48-40(35)50/h5-6,8-9,11-12,14-15,17-18,30-32,36-38,42,53-54H,4,7,10,13,16,19-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b6-5-,9-8-,12-11-,15-14-,18-17-/t32-,36-,37-,38+,42-/m1/s1

SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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:73870 chebi:73870	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA(4-) (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} docosapentaenoyl-CoA(4-)
kegg.compound:C16166 keggC:C16166	(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA
seed.compound:cpd14887 seedM:cpd14887	(7Z,10Z,13Z,16Z,19Z)-Docosapentaenoyl-CoA (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl-CoA (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA
SLM:000000734 slm:000000734	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA
metacyc.compound:CPD-14426 metacycM:CPD-14426	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA (7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl-CoA docosapentaenoyl-CoA
reactome:R-ALL-2046057 reactomeM:R-ALL-2046057 CHEBI:63541 chebi:63541	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA 22:5(n-3)-CoA 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(7Z,10Z,13Z,16Z,19Z)-docosa-7,10,13,16,19-pentaenoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 7Z,10Z,13Z,16Z,19Z-Docosapentaenoyl-CoA all-cis-7,10,13,16,19-docosapentaenoyl-CoA docosapentaenoyl-CoA
lipidmaps:LMFA07050131 lipidmapsM:LMFA07050131	(7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA 22:5(n-3) 7Z,10Z,13Z,16Z,19Z-Docosapentaenoyl-CoA 7Z,10Z,13Z,16Z,19Z-docosapentaenoyl-CoA CoA 22:5 all-cis-7,10,13,16,19-docosapentaenoyl-CoA docosapentaenoyl-CoA
bigg.metabolite:clpndcoa biggM:clpndcoa	Clupanodonyl CoA
biggM:M_clpndcoa keggC:M_C16166 seedM:M_cpd14887	secondary/obsolete/fantasy identifier