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(3S)-hydroxyhexadecanoyl-CoA

Properties

Image

Occurences in reactions

MNX_ID

MNXM1106166

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	8

formula

C₃₇H₆₂N₇O₁₈P₃S

charge

-4

mass

1017.31068

reference

chebi:62613

InChIKey

DEHLMTDDPWDRDR-BCIKBWLNSA-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+/m0/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:62613 chebi:62613	(3S)-hydroxyhexadecanoyl-CoA (S)-3-hydroxypalmitoyl-CoA(4-) (SS)-3-hydroxyhexadecanoyl-CoA(4-) 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
SLM:000000868 slm:000000868	(3S)-hydroxyhexadecanoyl-CoA
bigg.metabolite:3hhdcoa biggM:3hhdcoa sabiork.compound:2735 sabiorkM:2735 kegg.compound:C05258 keggC:C05258	(S)-3-Hydroxyhexadecanoyl-CoA
hmdb:HMDB0003932	(S)-3-Hydroxyhexadecanoyl-CoA (S)-3-Hydroxyhexadecanoyl-coenzyme A (S)-3-Hydroxypalmitoyl-coenzyme A 3-Hydroxyhexadecanoyl-CoA 3-Hydroxyhexadecanoyl-coenzyme A DL-3-Hydroxyhexadecanoyl-S-coenzyme A DL-3-Hydroxyhexadecanoyl-Scoenzyme A DL-3-Hydroxyhexadecanoyl-scoa S-(3-Hydroxyhexadecanoate S-(3-Hydroxyhexadecanoate)coenzyme A S-(3-Hydroxyhexadecanoic acid S-DL-3-Hydroxyhexadecanoate S-DL-3-Hydroxyhexadecanoic acid [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[({hydroxy[hydroxy(3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy)phosphoryl]oxyphosphoryl}oxy)methyl]oxolan-3-yl]oxyphosphonic acid b-Hydroxypalmitoyl-CoA b-Hydroxypalmitoyl-coenzyme A beta-Hydroxypalmitoyl-CoA beta-Hydroxypalmitoyl-coenzyme A {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[3-hydroxy-3-({2-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)carbamoyl]ethyl}carbamoyl)-2,2-dimethylpropoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
seed.compound:cpd03113 seedM:cpd03113	(S)-3-Hydroxyhexadecanoyl-CoA (S)-3-hydroxyhexadecanoyl-CoA (S)-3-hydroxypalmitoyl-CoA 3S-hydroxyhexadecanoyl-AoA 3hhdcoa
metacyc.compound:CPD0-2232 metacycM:CPD0-2232	(S)-3-hydroxyhexadecanoyl-CoA (S)-3-hydroxypalmitoyl-CoA 3S-hydroxyhexadecanoyl-AoA
reactome:R-ALL-77300 reactomeM:R-ALL-77300 CHEBI:27402 chebi:27402	(S)-3-hydroxypalmitoyl-CoA (S)-3-Hydroxyhexadecanoyl-CoA (S)-3-hydroxyhexadecanoyl-coenzyme A (S)-3-hydroxypalmitoyl-coenzyme A 3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyhexadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
lipidmaps:LMFA07050161 lipidmapsM:LMFA07050161	(S)-3-hydroxypalmitoyl-CoA (S)-3-hydroxyhexadecanoyl-coenzyme A (S)-3-hydroxypalmitoyl-coenzyme A 3S-hydroxyhexadecanoyl-CoA CoA 16:0 O
bigg.metabolite:HC01397 biggM:HC01397	3S-Hydroxyhexadecanoyl Coenzyme A
hmdb:HMDB03932 chebi:18752 chebi:397 biggM:M_3hhdcoa biggM:M_HC01397 keggC:M_C05258 seedM:M_cpd03113	secondary/obsolete/fantasy identifier