CHEBI:132021 - S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−)
ChEBI ID CHEBI:132021
ChEBI ASCII Name S-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl)-4'-phosphopantetheine(2-)
Definition An S-acyl-4'-phosphopantetheine obtained by deprotonation of the phosphate OH groups of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine; 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 C38H65N2O11PS
Net Charge -2
Average Mass 788.971
Monoisotopic Mass 788.40577
InChI InChI=1S/C38H67N2O11PS/c1-22(26-10-11-27-32-28(20-30(43)38(26,27)6)37(5)14-12-25(41)18-24(37)19-29(32)42)8-7-9-23(2)35(47)53-17-16-39-31(44)13-15-40-34(46)33(45)36(3,4)21-51-52(48,49)50/h22-30,32-33,41-43,45H,7-21H2,1-6H3,(H,39,44)(H,40,46)(H2,48,49,50)/p-2/t22-,23?,24+,25-,26-,27+,28+,29-,30+,32+,33+,37+,38-/m1/s1
InChIKey FIWSQOCVKNESKS-JWGNTNLOSA-L
SMILES C(SCCNC(CCNC(=O)[C@@H](C(COP([O-])(=O)[O-])(C)C)O)=O)(=O)C(CCC[C@H]([C@@]1([C@@]2([C@]([C@]3([C@](C[C@@H]2O)([C@@]4([C@@](C[C@@H](CC4)O)(C[C@H]3O)[H])C)[H])[H])(CC1)[H])C)[H])C)C
ChEBI Ontology
Outgoing S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) (CHEBI:132021) is a S-acyl-4ʼ-phosphopantetheine(2−) (CHEBI:132023)
S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) (CHEBI:132021) is conjugate base of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322)
Incoming S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine (CHEBI:132322) is conjugate acid of S-(3α,7α,12α-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) (CHEBI:132021)
IUPAC Name
(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(3α,5β,7α,12α)-3,7,12-trihydroxy-26-oxocholestan-26-yl]sulfanyl}ethyl)amino]propyl}amino)butyl phosphate
Synonyms Sources
3,7,12-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine(2−) ChEBI
3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine UniProt
3α,7α,12α-trihydroxy-5β-cholestan-26-oyl-4ʼ-phosphopantetheine(2−) SUBMITTER
S-(3,7,12-trihydroxy-5β-cholestan-26-oyl)-4ʼ-phosphopantetheine(2−) ChEBI
S-trihydroxycoprostanoyl-4ʼ-phosphopantetheine(2−) ChEBI
trihydroxycoprostanoyl-4ʼ-phosphopantetheine(2−) ChEBI
Citation Waiting for Citations Type Source
18799520 PubMed citation SUBMITTER
Last Modified
30 June 2016