CHEBI:76375 - (R)-3-hydroxydocosanoyl-CoA(4−)

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ChEBI Name (R)-3-hydroxydocosanoyl-CoA(4−)
ChEBI ID CHEBI:76375
ChEBI ASCII Name (R)-3-hydroxydocosanoyl-CoA(4-)
Definition A 3-hydroxy fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (R)-3-hydroxybehenoyl-CoA; major species at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C43H74N7O18P3S
Net Charge -4
Average Mass 1102.07000
Monoisotopic Mass 1101.40459
InChI InChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31(51)26-34(53)72-25-24-45-33(52)22-23-46-41(56)38(55)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-37(67-69(57,58)59)36(54)42(66-32)50-30-49-35-39(44)47-29-48-40(35)50/h29-32,36-38,42,51,54-55H,4-28H2,1-3H3,(H,45,52)(H,46,56)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t31-,32-,36-,37-,38+,42-/m1/s1
InChIKey VNJQSRVXTRJVAZ-ZUIQSSPPSA-J
SMILES CCCCCCCCCCCCCCCCCCC[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 (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is a (R)-3-hydroxyacyl-CoA(4−) (CHEBI:57319)
(R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is a 3-hydroxydocosanoyl-CoA(4−) (CHEBI:71456)
(R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375) is conjugate base of (R)-3-hydroxybehenoyl-CoA (CHEBI:76459)
Incoming (R)-3-hydroxybehenoyl-CoA (CHEBI:76459) is conjugate acid of (R)-3-hydroxydocosanoyl-CoA(4−) (CHEBI:76375)
IUPAC Name
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-({3-[(2-{[(3R)-3-hydroxydocosanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms Sources
(3R)-hydroxydocosanoyl-CoA UniProt
(R)-3-hydroxybehenoyl-CoA(4−) ChEBI
(R)-3-hydroxybehenoyl-coenzyme A(4−) ChEBI
(R)-3-hydroxydocosanoyl-CoA(4−) SUBMITTER
(R)-3-hydroxydocosanoyl-coenzyme A(4−) ChEBI
(R)-3-OH-C22:0-CoA(4−) SUBMITTER
Manual Xref Database
CPD-14276 MetaCyc
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Last Modified
06 March 2017