OntologieschebiclassesCHEBI:28632   
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(S)-3-hydroxyoctanoyl-CoA
http://purl.obolibrary.org/obo/CHEBI_28632

A hydroxy fatty acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (S)-3-hydroxyoctanoic acid.

Also appears inslmgo
Exact Synonyms
(S)-3-Hydroxyoctanoyl-CoA
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3S)-3-hydroxyoctanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Related Synonyms
(S)-3-Hydroxycapryloyl-CoA
(S)-3-hydroxycapryloyl-coenzyme A
(S)-3-hydroxyoctanoyl-coenzyme A
(S)-Hydroxyoctanoyl-CoA
class Information
charge

0

formula

C29H50N7O18P3S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C29H50N7O18P3S/c1-4-5-6-7-17(37)12-20(39)58-11-10-31-19(38)8-9-32-27(42)24(41)29(2,3)14-51-57(48,49)54-56(46,47)50-13-18-23(53-55(43,44)45)22(40)28(52-18)36-16-35-21-25(30)33-15-34-26(21)36/h15-18,22-24,28,37,40-41H,4-14H2,1-3H3,(H,31,38)(H,32,42)(H,46,47)(H,48,49)(H2,30,33,34)(H2,43,44,45)/t17-,18+,22+,23+,24-,28+/m0/s1

inchikey

ATVGTMKWKDUCMS-OTOYJEMWSA-N

in_subset

3_STAR

mass

909.73096

monoisotopicmass

909.21459

smiles

CCCCC[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

class Relations