CHEBI:76377 - (3R)-3-hydroxytetracosanoyl-CoA(4−)

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ChEBI Name (3R)-3-hydroxytetracosanoyl-CoA(4−)
ChEBI ID CHEBI:76377
ChEBI ASCII Name (3R)-3-hydroxytetracosanoyl-CoA(4-)
Definition A 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (3R)-3-hydroxytetracosanoyl-CoA [(R)-3-hydroxylignoceroyl-CoA]; the major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter laimo
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C45H78N7O18P3S
Net Charge -4
Average Mass 1130.12300
Monoisotopic Mass 1129.43589
InChI InChI=1S/C45H82N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-33(53)28-36(55)74-27-26-47-35(54)24-25-48-43(58)40(57)45(2,3)30-67-73(64,65)70-72(62,63)66-29-34-39(69-71(59,60)61)38(56)44(68-34)52-32-51-37-41(46)49-31-50-42(37)52/h31-34,38-40,44,53,56-57H,4-30H2,1-3H3,(H,47,54)(H,48,58)(H,62,63)(H,64,65)(H2,46,49,50)(H2,59,60,61)/p-4/t33-,34-,38-,39-,40+,44-/m1/s1
InChIKey QIBKBVRVOFIKLN-YSOWJFSKSA-J
SMILES CCCCCCCCCCCCCCCCCCCCC[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 (3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
(3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377) is a 3-hydroxy fatty acyl-CoA(4−) (CHEBI:65102)
(3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377) is conjugate base of (3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463)
Incoming (3R)-3-hydroxytetracosanoyl-CoA (CHEBI:76463) is conjugate acid of (3R)-3-hydroxytetracosanoyl-CoA(4−) (CHEBI:76377)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxytetracosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(3R)-hydroxytetracosanoyl-CoA UniProt
(R)-3-hydroxylignoceroyl-CoA(4−) ChEBI
(R)-3-hydroxylignoceroyl-coenzyme A(4−) ChEBI
(R)-3-hydroxytetracosanoyl-CoA(4−) SUBMITTER
(R)-3-hydroxytetracosanoyl-coenzyme A(4−) ChEBI
(R)-3-OH-C24:0-CoA(4−) SUBMITTER
Manual Xref Database
CPD-14277 MetaCyc
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Last Modified
06 February 2019