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CHEBI:74117 - 2-hydroxybehenoyl-CoA(4−)

ChEBI IDCHEBI:74117
ChEBI Name2-hydroxybehenoyl-CoA(4−)
Stars
ASCII Name2-hydroxybehenoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxybehenoyl-CoA.
Last Modified31 March 2015
Submitterlaimo
DownloadsMolfile
FormulaC43H74N7O18P3S
Net Charge-4
Average Mass1102.085
Monoisotopic Mass1101.40458
SMILESCCCCCCCCCCCCCCCCCCCCC(O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)([O-])[O-]
InChIInChI=1S/C43H78N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-31(51)42(56)72-26-25-45-33(52)23-24-46-40(55)37(54)43(2,3)28-65-71(62,63)68-70(60,61)64-27-32-36(67-69(57,58)59)35(53)41(66-32)50-30-49-34-38(44)47-29-48-39(34)50/h29-32,35-37,41,51,53-54H,4-28H2,1-3H3,(H,45,52)(H,46,55)(H,60,61)(H,62,63)(H2,44,47,48)(H2,57,58,59)/p-4/t31?,32-,35-,36-,37+,41-/m1/s1
InChIKeyTXHBQUJRFDOFJT-FBLBILBLSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxybehenoyl-CoA(4−) (CHEBI:74117) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
2-hydroxybehenoyl-CoA(4−) (CHEBI:74117) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxybehenoyl-CoA(4−) (CHEBI:74117) is conjugate base of 2-hydroxybehenoyl-CoA (CHEBI:74148)
Incoming Relation(s)
2-hydroxybehenoyl-CoA (CHEBI:74148) is conjugate acid of 2-hydroxybehenoyl-CoA(4−) (CHEBI:74117)
IUPAC Name 
3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxydocosanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}
Synonyms  Source
2-OH-behenoyl-CoA(4−)SUBMITTER
2-OH-docosanoyl-CoA(4−)SUBMITTER
2-hydroxydocosanoyl-CoA(4−)SUBMITTER
2-OH-C22:0-CoA(4−)SUBMITTER
2-hydroxydocosanoyl-coenzyme A(4−)ChEBI
2-hydroxybehenoyl-coenzyme AChEBI
UniProt Name  Source
2-hydroxydocosanoyl-CoAUniProt