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(13Z)-eicosenoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM146661

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	22

formula

C₄₁H₆₈N₇O₁₇P₃S

charge

-4

mass

1055.36272

reference

chebi:76563

InChIKey

UZVWVONIQVFUPF-VNNCJAHTSA-J

InChI

InChI=1S/C41H72N7O17P3S/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/h9-10,28-30,34-36,40,51-52H,4-8,11-27H2,1-3H3,(H,43,49)(H,44,53)(H,57,58)(H,59,60)(H2,42,45,46)(H2,54,55,56)/p-4/b10-9-/t30-,34-,35-,36+,40-/m1/s1

SMILES

CCCCCC/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:76563 chebi:76563	(13Z)-eicosenoyl-CoA (13Z)-eicosenoyl-coenzyme A(4-) (13Z)-icosenoyl-CoA(4-) (13Z)-icosenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(13Z)-icos-13-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate} C20:1(omega-7)-CoA(4-)
CHEBI:76910 chebi:76910	(13Z)-icosenoyl-CoA (13Z)-eicosenoyl-CoA (13Z)-eicosenoyl-coenzyme A (13Z)-icosenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(13Z)-icos-13-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
kegg.compound:C21947 keggC:C21947	Paullinoyl-CoA (13Z)-Eicosenoyl-CoA (13Z)-Icosenoyl-CoA
keggC:M_C21947	secondary/obsolete/fantasy identifier