myristoyl-CoA (CHEBI:15532)

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CHEBI:15532 - myristoyl-CoA

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ChEBI ID	CHEBI:15532
ChEBI Name	myristoyl-CoA
Stars
Definition	A long-chain fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of myristic acid.
Secondary ChEBI IDs	CHEBI:9475, CHEBI:14637, CHEBI:15218, CHEBI:26898, CHEBI:52969
Last Modified	7 June 2024
Submitter	kieran, Marcus Ennis
Downloads	Molfile

Formula	C35H62N7O17P3S
Net Charge	0
Average Mass	977.902
Monoisotopic Mass	977.31357
SMILES	CCCCCCCCCCCCCC(=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
InChI	InChI=1S/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(47)30(46)35(2,3)21-56-62(53,54)59-61(51,52)55-20-24-29(58-60(48,49)50)28(45)34(57-24)42-23-41-27-31(36)39-22-40-32(27)42/h22-24,28-30,34,45-46H,4-21H2,1-3H3,(H,37,43)(H,38,47)(H,51,52)(H,53,54)(H2,36,39,40)(H2,48,49,50)/t24-,28-,29-,30+,34-/m1/s1
InChIKey	DUAFKXOFBZQTQE-QSGBVPJFSA-N

Species of Metabolite	Component	Source	Comments
Escherichia coli (ncbitaxon:562)	-	PubMed (21988831)
Mus musculus (ncbitaxon:10090)	-	PubMed (19425150)	Source: BioModels - MODEL1507180067

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Roles:	Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).

ChEBI Ontology

Outgoing Relation(s)
	myristoyl-CoA (CHEBI:15532) has functional parent coenzyme A (CHEBI:15346)
	myristoyl-CoA (CHEBI:15532) has functional parent tetradecanoic acid (CHEBI:28875)
	myristoyl-CoA (CHEBI:15532) has role Escherichia coli metabolite (CHEBI:76971)
	myristoyl-CoA (CHEBI:15532) has role mouse metabolite (CHEBI:75771)
	myristoyl-CoA (CHEBI:15532) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	myristoyl-CoA (CHEBI:15532) is a long-chain fatty acyl-CoA (CHEBI:33184)
	myristoyl-CoA (CHEBI:15532) is a saturated fatty acyl-CoA (CHEBI:231546)
	myristoyl-CoA (CHEBI:15532) is conjugate acid of myristoyl-CoA(4−) (CHEBI:57385)
Incoming Relation(s)
	(S)-3-hydroxytetradecanoyl-CoA (CHEBI:27466) has functional parent myristoyl-CoA (CHEBI:15532)
	3-oxotetradecanoyl-CoA (CHEBI:28726) has functional parent myristoyl-CoA (CHEBI:15532)
	myristoyl-CoA(4−) (CHEBI:57385) is conjugate base of myristoyl-CoA (CHEBI:15532)

IUPAC Name
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(tetradecanoylsulfanyl)ethyl]amino}propyl)amino]butyl} dihydrogen diphosphate)

Synonyms	Source
S-tetradecanoyl-coenzyme A	ChEBI
Myristoyl-CoA	KEGG COMPOUND
n-C14:0-CoA	ChEBI
n-C14:0-coenzyme A	ChEBI
Tetradecanoyl-CoA	KEGG COMPOUND

Manual Xrefs	Databases
C02593	KEGG COMPOUND
DB02180	DrugBank
HMDB0001521	HMDB
LMFA07050008	LIPID MAPS
MYA	PDBeChem

Registry Numbers	Sources
Reaxys:8033632	Reaxys
CAS:3130-72-1	ChemIDplus

Citations