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CHEBI:76472 - (R)-3-hydroxyoctacosanoyl-CoA

ChEBI IDCHEBI:76472
ChEBI Name(R)-3-hydroxyoctacosanoyl-CoA
Stars
ASCII Name(R)-3-hydroxyoctacosanoyl-CoA
DefinitionA 3-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (R)-3-hydroxyoctacosanoic acid [(R)-3-hydroxymontanic acid].
Last Modified6 February 2019
SubmitterSteve
DownloadsMolfile
FormulaC49H90N7O18P3S
Net Charge0
Average Mass1190.279
Monoisotopic Mass1189.52759
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC[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
InChIInChI=1S/C49H90N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-37(57)32-40(59)78-31-30-51-39(58)28-29-52-47(62)44(61)49(2,3)34-71-77(68,69)74-76(66,67)70-33-38-43(73-75(63,64)65)42(60)48(72-38)56-36-55-41-45(50)53-35-54-46(41)56/h35-38,42-44,48,57,60-61H,4-34H2,1-3H3,(H,51,58)(H,52,62)(H,66,67)(H,68,69)(H2,50,53,54)(H2,63,64,65)/t37-,38-,42-,43-,44+,48-/m1/s1
InChIKeyNTFBHMWCTYUQPR-LAOISBJJSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) has functional parent octacosanoic acid (CHEBI:31001)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) is a (R)-3-hydroxyacyl-CoA (CHEBI:15456)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) is a 3-hydroxy fatty acyl-CoA (CHEBI:20060)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) is a ultra-long-chain fatty acyl-CoA (CHEBI:143017)
(R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472) is conjugate acid of (R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382)
Incoming Relation(s)
(R)-3-hydroxyoctacosanoyl-CoA(4−) (CHEBI:76382) is conjugate base of (R)-3-hydroxyoctacosanoyl-CoA (CHEBI:76472)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxyoctacosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
(R)-3-hydroxyoctacosanoyl-coenzyme AChEBI
(R)-3-hydroxymontanoyl-coenzyme AChEBI
(R)-3-hydroxymontanoyl-CoAChEBI
(3R)-3-hydroxymontanoyl-CoAChEBI
(3R)-3-hydroxyoctacosanoyl-CoAChEBI