CHEBI:87561 - (3S)-3-hydroxyoctadecanoyl-CoA(4−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (3S)-3-hydroxyoctadecanoyl-CoA(4−)
ChEBI ID CHEBI:87561
ChEBI ASCII Name (3S)-3-hydroxyoctadecanoyl-CoA(4-)
Definition A 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3S)-hydroxyoctadecanoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C39H66N7O18P3S
Net Charge -4
Average Mass 1045.966
Monoisotopic Mass 1045.340
InChI InChI=1S/C39H70N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(47)22-30(49)68-21-20-41-29(48)18-19-42-37(52)34(51)39(2,3)24-61-67(58,59)64-66(56,57)60-23-28-33(63-65(53,54)55)32(50)38(62-28)46-26-45-31-35(40)43-25-44-36(31)46/h25-28,32-34,38,47,50-51H,4-24H2,1-3H3,(H,41,48)(H,42,52)(H,56,57)(H,58,59)(H2,40,43,44)(H2,53,54,55)/p-4/t27-,28+,32+,33+,34-,38+/m0/s1
InChIKey WZMAIEGYXCOYSH-SFKGBVSGSA-J
SMILES [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)C[C@@H](O)CCCCCCCCCCCCCCC)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O
ChEBI Ontology
Outgoing (3S)-3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:87561) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(3S)-3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:87561) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(3S)-3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:87561) is conjugate base of (S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577)
Incoming (S)-3-hydroxyoctadecanoyl-CoA (CHEBI:50577) is conjugate acid of (3S)-3-hydroxyoctadecanoyl-CoA(4−) (CHEBI:87561)
Synonyms Sources
(3S)-3-hydroxyoctadecanoyl-coenzyme A(4−) ChEBI
(3S)-3-hydroxystearoyl-CoA(4−) SUBMITTER
(3S)-3-hydroxystearoyl-coenzyme A(4−) ChEBI
(3S)-hydroxyoctadecanoyl-CoA UniProt
Last Modified
03 September 2015