(3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463)

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CHEBI:76463 - (3R)-3-hydroxytetracosanoyl-CoA

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ChEBI ID	CHEBI:76463
ChEBI Name	(3R)-3-hydroxytetracosanoyl-CoA
Stars
ASCII Name	(3R)-3-hydroxytetracosanoyl-CoA
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 (3R)-3-hydroxytetracosanoic acid [(R)-3-hydroxylignoceric acid].
Last Modified	6 February 2019
Submitter	Steve
Downloads	Molfile

Formula	C45H82N7O18P3S
Net Charge	0
Average Mass	1134.171
Monoisotopic Mass	1133.46499
SMILES	CCCCCCCCCCCCCCCCCCCCC[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
InChI	InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/t33-,34-,38-,39-,40+,44-/m1/s1
InChIKey	QIBKBVRVOFIKLN-YSOWJFSKSA-N

Roles Classification

acyl donor Any donor that can transfer acyl groups between molecular entities.

ChEBI Ontology

Outgoing Relation(s)
	(3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
	(3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
	(3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463) is a very long-chain fatty acyl-CoA (CHEBI:61910)
	(3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463) is conjugate acid of (3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377)
Incoming Relation(s)
Incoming Relation(s)	(3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377) is conjugate base of (3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463)

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

Synonyms	Source
(R)-3-hydroxytetracosanoyl-CoA	ChEBI
(R)-3-hydroxytetracosanoyl-coenzyme A	ChEBI
(R)-3-hydroxylignoceroyl-coenzyme A	ChEBI
(R)-3-hydroxylignoceroyl-CoA	ChEBI
(3R)-3-hydroxylignoceroyl-CoA	ChEBI

Manual Xrefs	Databases
CPD-14277	MetaCyc