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3-hydroxytetracosanoyl-CoA

MNXM36558 is deprecated and here replaced by MNXM1105747
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM1105747

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	4

formula

C₄₅H₈₂N₇O₁₈P₃S

charge

mass

1133.46499

reference

chebi:52326

InChIKey

QIBKBVRVOFIKLN-SBPVGHMXSA-N

InChI

InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33?,34-,38-,39-,40+,44-/m1/s1

SMILES

CCCCCCCCCCCCCCCCCCCCCC(O)CC(=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:52326 chebi:52326	3-hydroxytetracosanoyl-CoA 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} 3-hydroxy-C24-CoA 3-hydroxytetracosanoyl-coenzyme A
metacyc.compound:CPD-16348 metacycM:CPD-16348	3-hydroxytetracosanoyl-CoA
bigg.metabolite:CE2249 biggM:CE2249	3-hydroxytetracosanoyl-CoA(4-)
CHEBI:65051 chebi:65051	3-hydroxytetracosanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxytetracosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate} 3-hydroxy-C24-CoA(4-) 3-hydroxytetracosanoyl-CoA (4-) 3-hydroxytetracosanoyl-coenzyme A(4-)
lipidmaps:LMFA07050228 lipidmapsM:LMFA07050228	3-hydroxytetracosanoyl-CoA 3-hydroxy-C24-CoA 3-hydroxytetracosanoyl-CoA 3-hydroxytetracosanoyl-coenzyme A CoA 24:0 O
biggM:M_CE2249	secondary/obsolete/fantasy identifier