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(3R)-3-hydroxydodecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM4926

	#reac
in my sandbox	0
in MNXref (generic)	8
in models (compartimentalized)	9

formula

C₃₃H₅₄N₇O₁₈P₃S

charge

-4

mass

961.24808

reference

chebi:74276

InChIKey

IJFLXRCJWPKGKJ-IGYWURMESA-J

InChI

InChI=1S/C33H58N7O18P3S/c1-4-5-6-7-8-9-10-11-21(41)16-24(43)62-15-14-35-23(42)12-13-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h19-22,26-28,32,41,44-45H,4-18H2,1-3H3,(H,35,42)(H,36,46)(H,50,51)(H,52,53)(H2,34,37,38)(H2,47,48,49)/p-4/t21-,22-,26-,27-,28+,32-/m1/s1

SMILES

CCCCCCCCC[C@@H](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:74276 chebi:74276	(3R)-3-hydroxydodecanoyl-CoA (R)-3-hydroxydodecanoyl-CoA(4-) (R)-3-hydroxydodecanoyl-coenzyme A(4-) (R)-3-hydroxylauroyl-CoA (R)-3-hydroxylauroyl-CoA(4-) (R)-3-hydroxylauroyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd32867 seedM:cpd32867	(3R)-3-hydroxydodecanoyl-CoA (R)-3-hydroxydodecanoyl-CoA D-3-hydroxydodecanoyl-CoA
SLM:000399840 slm:000399840	(3R)-hydroxydodecanoyl-CoA
bigg.metabolite:R_3hddcoa biggM:R_3hddcoa sabiork.compound:28587 sabiorkM:28587	(R)-3-Hydroxydodecanoyl-CoA
seed.compound:cpd16756 seedM:cpd16756	(R)-3-Hydroxydodecanoyl-CoA R-3hddcoa
metacyc.compound:CPD-14918 metacycM:CPD-14918	(R)-3-hydroxydodecanoyl-CoA (3R)-3-hydroxydodecanoyl-CoA D-3-hydroxydodecanoyl-CoA
CHEBI:74451 chebi:74451	(R)-3-hydroxylauroyl-CoA (R)-3-hydroxydodecanoyl-CoA (R)-3-hydroxydodecanoyl-coenzyme A (R)-3-hydroxylauroyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydodecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
biggM:M_R_3hddcoa seedM:M_cpd16756 seedM:M_cpd32867	secondary/obsolete/fantasy identifier