CHEBI:64959 - 3-hydroxyhexacosanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-hydroxyhexacosanoyl-CoA(4−)
ChEBI ID CHEBI:64959
ChEBI ASCII Name 3-hydroxyhexacosanoyl-CoA(4-)
Definition An acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate OH groups of 3-hydroxyhexacosanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter AnneNiknejad
Supplier Information
Download Molfile XML SDF
Formula C47H82N7O18P3S
Net Charge -4
Average Mass 1158.17600
Monoisotopic Mass 1157.46719
InChI InChI=1S/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-35(55)30-38(57)76-29-28-49-37(56)26-27-50-45(60)42(59)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-41(71-73(61,62)63)40(58)46(70-36)54-34-53-39-43(48)51-33-52-44(39)54/h33-36,40-42,46,55,58-59H,4-32H2,1-3H3,(H,49,56)(H,50,60)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35?,36-,40-,41-,42+,46-/m1/s1
InChIKey GBMJOTOUUWGTIA-HSPCTEKSSA-J
SMILES CCCCCCCCCCCCCCCCCCCCCCCC(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 3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959) is conjugate base of 3-hydroxyhexacosanoyl-CoA (CHEBI:64972)
Incoming 3-hydroxyhexacosanoyl-CoA (CHEBI:64972) is conjugate acid of 3-hydroxyhexacosanoyl-CoA(4−) (CHEBI:64959)
Synonyms Sources
3-hydroxyhexacosanoyl-CoA UniProt
3-hydroxyhexacosanoyl-coenzyme A(4−) ChEBI
Last Modified
31 March 2015