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(13Z)-docosenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1103851

	#reac
in my sandbox	0
in MNXref (generic)	12
in models (compartimentalized)	31

formula

C₄₃H₇₂N₇O₁₇P₃S

charge

-4

mass

1083.39402

reference

chebi:74068

InChIKey

OWGHRDKRIGXBJM-SPZFTOIUSA-J

InChI

InChI=1S/C43H76N7O17P3S/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/h11-12,30-32,36-38,42,53-54H,4-10,13-29H2,1-3H3,(H,45,51)(H,46,55)(H,59,60)(H,61,62)(H2,44,47,48)(H2,56,57,58)/p-4/b12-11-/t32-,36-,37-,38+,42-/m1/s1

SMILES

CCCCCCCC/C=C\CCCCCCCCCCCC(=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:74068 chebi:74068	(13Z)-docosenoyl-CoA 13Z-docosenoyl-CoA(4-) 13Z-docosenoyl-coenzyme A(4-) 13cis-docosenoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(13Z)-docosa-13-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] diphosphate} C22:1(n-9) -CoA(4-) erucoyl-CoA(4-)
seed.compound:cpd24276 seedM:cpd24276	(13Z)-docos-13-enoyl-CoA (Z)-13-docosenoyl-CoA 22:1 cis-13 22:1(n-13)
SLM:000000593 slm:000000593	(13Z)-docosenoyl-CoA
metacyc.compound:CPD-14293 metacycM:CPD-14293	(13Z)-docosenoyl-CoA (13Z)-docos-13-enoyl-CoA (Z)-13-docosenoyl-CoA 13Z-docosenoyl-coenzyme A 13cis-docosenoyl-CoA 22:1 cis-13 22:1(n-13) erucoyl-CoA
bigg.metabolite:doco13ecoa biggM:doco13ecoa	13-Docosenoyl Coenzyme A
hmdb:HMDB0062217	13Z-docosenoyl-CoA (13Z)-Docosenoyl-CoA 13Z-Docosenoyl-CoA 13Z-Docosenoyl-coenzyme A 13cis-Docosenoyl-CoA C22:1(N-9) -CoA C22:1(N-9)-CoA CoA(22:1(13Z)) Ercoyl-coenzyme A Erucoyl-CoA Erucyl-CoA Erucyl-coenzyme A S-Erucyl-coenzyme A [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[({[(3R)-3-{[2-({2-[(13Z)-docos-13-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy(hydroxy)phosphoryl]oxy(hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxyphosphonic acid erucoyl-coenzyme A {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-({[({[(3R)-3-{[2-({2-[(13Z)-docos-13-enoylsulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropoxy](hydroxy)phosphoryl}oxy)(hydroxy)phosphoryl]oxy}methyl)-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd16345 seedM:cpd16345 kegg.compound:C16531 keggC:C16531	Docosenoyl-CoA (13Z)-Docosenoyl-CoA
CHEBI:74106 chebi:74106	erucoyl-CoA 13Z-docosenoyl-CoA 13Z-docosenoyl-coenzyme A 13cis-docosenoyl-CoA C22:1(n-9) -CoA C22:1(n-9)-CoA
lipidmaps:LMFA07050318 lipidmapsM:LMFA07050318	erucoyl-CoA 13Z-docosenoyl-CoA 13Z-docosenoyl-coenzyme A 13cis-docosenoyl-CoA C22:1(n-9) -CoA C22:1(n-9)-CoA CoA 22:1
hmdb:HMDB62217 biggM:M_doco13ecoa keggC:M_C16531 seedM:M_cpd16345 seedM:M_cpd24276	secondary/obsolete/fantasy identifier