CHEBI:62075 - (S)-3-hydroxyhexanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (S)-3-hydroxyhexanoyl-CoA(4−)
ChEBI ID CHEBI:62075
ChEBI ASCII Name (S)-3-hydroxyhexanoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of (S)-3-hydroxyhexanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Eugeni Belda
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C27H42N7O18P3S
Net Charge -4
Average Mass 877.64500
Monoisotopic Mass 877.15418
InChI InChI=1S/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,35,38-39H,4-12H2,1-3H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t15-,16+,20+,21+,22-,26+/m0/s1
InChIKey VAAHKRMGOFIORX-IKTBLOROSA-J
SMILES CCC[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-hydroxyhexanoyl-CoA(4−) (CHEBI:62075) is a acyl-CoA(4−) (CHEBI:58342)
(S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075) is conjugate base of (S)-3-hydroxyhexanoyl-CoA (CHEBI:28276)
Incoming (S)-3-hydroxyhexanoyl-CoA (CHEBI:28276) is conjugate acid of (S)-3-hydroxyhexanoyl-CoA(4−) (CHEBI:62075)
Synonyms Sources
(3S)-hydroxyhexanoyl-CoA UniProt
(S)-3-hydroxyhexanoyl-coenzyme A(4−) ChEBI
3-hydroxyhexanoyl-CoA(4−) SUBMITTER
3-OH-hexanoyl-CoA(4−) SUBMITTER
OH-hexanoyl-CoA(4−) SUBMITTER
Manual Xref Database
OH-HEXANOYL-COA MetaCyc
View more database links
Last Modified
01 July 2014