3-hydroxytetradecanoyl-CoA (CHEBI:85205)

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CHEBI:85205 - 3-hydroxytetradecanoyl-CoA

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ChEBI ID	CHEBI:85205
ChEBI Name	3-hydroxytetradecanoyl-CoA
Stars
Definition	A 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 3-hydroxytetradecanoic acid.
Last Modified	31 March 2015
Submitter	Steve
Downloads	Molfile

Formula	C35H62N7O18P3S
Net Charge	0
Average Mass	993.901
Monoisotopic Mass	993.30849
SMILES	CCCCCCCCCCCC(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
InChI	InChI=1S/C35H62N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-23(43)18-26(45)64-17-16-37-25(44)14-15-38-33(48)30(47)35(2,3)20-57-63(54,55)60-62(52,53)56-19-24-29(59-61(49,50)51)28(46)34(58-24)42-22-41-27-31(36)39-21-40-32(27)42/h21-24,28-30,34,43,46-47H,4-20H2,1-3H3,(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,36,39,40)(H2,49,50,51)/t23?,24-,28-,29-,30+,34-/m1/s1
InChIKey	OXBHKMHNDGRDCZ-JIFARLPCSA-N

Species of Metabolite	Component	Source	Comments
Bacillus subtilis (ncbitaxon:1423)	-	PubMed (21673922)	Strain: OKB105

Roles Classification

Chemical Role:	acyl donor Any donor that can transfer acyl groups between molecular entities.
Biological Role:	bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria.

ChEBI Ontology

Outgoing Relation(s)
	3-hydroxytetradecanoyl-CoA (CHEBI:85205) has functional parent 3-hydroxytetradecanoic acid (CHEBI:85148)
	3-hydroxytetradecanoyl-CoA (CHEBI:85205) has role bacterial metabolite (CHEBI:76969)
	3-hydroxytetradecanoyl-CoA (CHEBI:85205) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
	3-hydroxytetradecanoyl-CoA (CHEBI:85205) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	3-hydroxytetradecanoyl-CoA (CHEBI:85205) is a long-chain fatty acyl-CoA (CHEBI:33184)
	3-hydroxytetradecanoyl-CoA (CHEBI:85205) is conjugate acid of 3-hydroxytetradecanoyl-CoA(4−) (CHEBI:84198)
Incoming Relation(s)
Incoming Relation(s)	3-hydroxytetradecanoyl-CoA(4−) (CHEBI:84198) is conjugate base of 3-hydroxytetradecanoyl-CoA (CHEBI:85205)

IUPAC Name
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(3-hydroxytetradecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}

Synonyms	Source
3-hydroxytetradecanoyl-coenzyme A	ChEBI
3-hydroxymyristoyl-coenzyme A	ChEBI
3-hydroxymyristoyl-CoA	ChEBI

Manual Xrefs	Databases
CPD0-1161	MetaCyc

Registry Numbers	Sources
Reaxys:11195624	Reaxys

Citations