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(3R)-hydroxyhexadecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106167

	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	8

formula

C₃₇H₆₂N₇O₁₈P₃S

charge

-4

mass

1017.31068

reference

chebi:74278

InChIKey

DEHLMTDDPWDRDR-ODUGITAYSA-J

InChI

InChI=1S/C37H66N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-26,30-32,36,45,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/t25-,26-,30-,31-,32+,36-/m1/s1

SMILES

CCCCCCCCCCCCC[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:74278 chebi:74278	(3R)-hydroxyhexadecanoyl-CoA (R)-3-hydroxyhexadecanoyl-CoA(4-) (R)-3-hydroxyhexadecanoyl-coenzyme A(4-) (R)-3-hydroxypalmitoyl-CoA (R)-3-hydroxypalmitoyl-CoA(4-) (R)-3-hydroxypalmitoyl-coenzyme A(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
seed.compound:cpd34450 seedM:cpd34450	(3R)-3-hydroxyhexadecanoyl-CoA (R)-3-hydroxyhexadecanoyl-CoA
SLM:000389368 slm:000389368	(3R)-hydroxyhexadecanoyl-CoA
metacyc.compound:CPD-14920 metacycM:CPD-14920	(R)-3-hydroxyhexadecanoyl-CoA (3R)-3-hydroxyhexadecanoyl-CoA
CHEBI:74459 chebi:74459	(R)-3-hydroxypalmitoyl-CoA (R)-3-hydroxyhexadecanoyl-CoA (R)-3-hydroxyhexadecanoyl-coenzyme A (R)-3-hydroxypalmitoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
bigg.metabolite:3hexdcoa biggM:3hexdcoa	3-hydroxyhexadecanoylcoa
biggM:M_3hexdcoa seedM:M_cpd34450	secondary/obsolete/fantasy identifier