OntologiesslmclassesCHEBI:27540   
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hexanoyl-CoAImported
http://purl.obolibrary.org/obo/CHEBI_27540

A medium-chain fatty acyl-CoA having hexanoyl as the S-acyl group.

Defined bychebi
Also appears ingo
Exact Synonyms
3'-phosphoadenosine 5'-(3-{(3R)-3-hydroxy-4-[(3-{[2-(hexanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutyl} dihydrogen diphosphate)
Hexanoyl-CoA
hexanoyl-CoA
Related Synonyms
caproyl-CoA
caproyl-coenzyme A
Coenzyme A, S-hexanoate
Hexanoyl-coenzyme A
n-hexanoyl-CoA
n-hexanoyl-coenzyme A
S-hexanoyl-CoA
S-Hexanoyl-coenzym-A
S-hexanoyl-coenzyme-A
class Information
charge

0

formula

C27H46N7O17P3S

has_obo_namespace

chebi_ontology

inchi

InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1

inchikey

OEXFMSFODMQEPE-HDRQGHTBSA-N

in_subset

3_STAR

mass

865.67840

monoisotopicmass

865.18838

smiles

CCCCCC(=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