CHEBI:27402 - (S)-3-hydroxypalmitoyl-CoA

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ChEBI Name (S)-3-hydroxypalmitoyl-CoA
ChEBI ID CHEBI:27402
ChEBI ASCII Name (S)-3-hydroxypalmitoyl-CoA
Definition A long-chain (3S)-hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxypalmitic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:397, CHEBI:18752
Supplier Information
Download Molfile XML SDF
Formula C37H66N7O18P3S
Net Charge 0
Average Mass 1021.94360
Monoisotopic Mass 1021.340
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)/t25-,26+,30+,31+,32-,36+/m0/s1
InChIKey DEHLMTDDPWDRDR-BCIKBWLNSA-N
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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Metabolite of Species Details
Mus musculus (NCBI:10090) Source: BioModels - MODEL1507180067 See: PubMed
Saccharomyces cerevisiae (NCBI:4932) Source: yeast.sf.net See: PubMed
Escherichia coli (NCBI:562) See: PubMed
Homo sapiens (NCBI:9606) See: DOI
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
Saccharomyces cerevisiae metabolite
Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has functional parent (S)-3-hydroxypalmitic acid (CHEBI:37250)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has functional parent palmitoyl-CoA (CHEBI:15525)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role Escherichia coli metabolite (CHEBI:76971)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role Saccharomyces cerevisiae metabolite (CHEBI:75772)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role human metabolite (CHEBI:77746)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) has role mouse metabolite (CHEBI:75771)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is a long-chain (3S)-hydroxy fatty acyl-CoA (CHEBI:137639)
(S)-3-hydroxypalmitoyl-CoA (CHEBI:27402) is conjugate acid of (S)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:62613)
Incoming (S)-3-hydroxypalmitoyl-CoA(4−) (CHEBI:62613) is conjugate base of (S)-3-hydroxypalmitoyl-CoA (CHEBI:27402)
IUPAC Name
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}
Synonyms Sources
(S)-3-Hydroxyhexadecanoyl-CoA KEGG COMPOUND
(S)-3-hydroxyhexadecanoyl-coenzyme A ChEBI
(S)-3-hydroxypalmitoyl-coenzyme A ChEBI
Database Link Database
C05258 KEGG COMPOUND
View more database links
Last Modified
04 July 2017