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(2E)-tetracosenoyl-CoA

MNXM97616 is deprecated and here replaced by MNXM741763
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM741763

	#reac
in my sandbox	0
in MNXref (generic)	5
in models (compartimentalized)	9

formula

C₄₅H₇₆N₇O₁₇P₃S

charge

-4

mass

1111.42532

reference

chebi:74693

InChIKey

UVJKZCSQLMWPMV-LQJAWXTISA-J

InChI

InChI=1S/C45H80N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-36(54)73-29-28-47-35(53)26-27-48-43(57)40(56)45(2,3)31-66-72(63,64)69-71(61,62)65-30-34-39(68-70(58,59)60)38(55)44(67-34)52-33-51-37-41(46)49-32-50-42(37)52/h24-25,32-34,38-40,44,55-56H,4-23,26-31H2,1-3H3,(H,47,53)(H,48,57)(H,61,62)(H,63,64)(H2,46,49,50)(H2,58,59,60)/p-4/b25-24+/t34-,38-,39-,40+,44-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCCC/C=C/C(=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:74693 chebi:74693	(2E)-tetracosenoyl-CoA (E)-2-tetracosenoyl-CoA(4-) (E)-2-tetracosenoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-tetracos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] diphosphate} trans-2-tetracosenoyl-CoA(4-) trans-2-tetracosenoyl-coenzyme A(4-)
seed.compound:cpd24272 seedM:cpd24272	(2E)-lignocerenoyl-CoA trans-2,3-dihydro-lignocerenoyl-CoA trans-lignocer-2-enoyl-CoA
SLM:000389405 slm:000389405	(2E)-tetracosenoyl-CoA
CHEBI:75068 chebi:75068	trans-2-tetracosenoyl-CoA (E)-2-tetracosenoyl-CoA (E)-2-tetracosenoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2E)-tetracos-2-enoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate} trans-2-tetracosenoyl-coenzyme A
metacyc.compound:CPD-14282 metacycM:CPD-14282	trans-lignocer-2-enoyl-CoA (2E)-lignocerenoyl-CoA trans-2,3-dihydro-lignocerenoyl-CoA
seedM:M_cpd24272	secondary/obsolete/fantasy identifier