CHEBI:62616 - (S)-3-hydroxydecanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-3-hydroxydecanoyl-CoA(4−)
ChEBI ID CHEBI:62616
ChEBI ASCII Name (S)-3-hydroxydecanoyl-CoA(4-)
Definition An (S)-3-hydroxyacyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxydecanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information
Download Molfile XML SDF
Formula C31H50N7O18P3S
Net Charge -4
Average Mass 933.75100
Monoisotopic Mass 933.215
InChI InChI=1S/C31H54N7O18P3S/c1-4-5-6-7-8-9-19(39)14-22(41)60-13-12-33-21(40)10-11-34-29(44)26(43)31(2,3)16-53-59(50,51)56-58(48,49)52-15-20-25(55-57(45,46)47)24(42)30(54-20)38-18-37-23-27(32)35-17-36-28(23)38/h17-20,24-26,30,39,42-43H,4-16H2,1-3H3,(H,33,40)(H,34,44)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/p-4/t19-,20+,24+,25+,26-,30+/m0/s1
InChIKey HIVSMYZAMUNFKZ-PNPVFPMQSA-J
SMILES CCCCCCC[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
ChEBI Ontology
Outgoing (S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616) is a (S)-3-hydroxyacyl-CoA(4−) (CHEBI:57318)
(S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616) is a 3-hydroxydecanoyl-CoA(4−) (CHEBI:86041)
(S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616) is conjugate base of (S)-3-hydroxydecanoyl-CoA (CHEBI:28325)
Incoming (S)-3-hydroxydecanoyl-CoA (CHEBI:28325) is conjugate acid of (S)-3-hydroxydecanoyl-CoA(4−) (CHEBI:62616)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxydecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonym Source
(3S)-hydroxydecanoyl-CoA UniProt
Database Link Database
CPD0-2244 MetaCyc
View more database links
Last Modified
21 March 2017