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CHEBI:139022 - 2-hydroxyheptadecanoyl-CoA

ChEBI IDCHEBI:139022
ChEBI Name2-hydroxyheptadecanoyl-CoA
Stars
DefinitionA hydroxy fatty-acyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of 2-hydroxyheptadecanoic acid
Last Modified10 November 2017
SubmitterSteve
DownloadsMolfile
FormulaC38H68N7O18P3S
Net Charge0
Average Mass1035.982
Monoisotopic Mass1035.35544
SMILESCCCCCCCCCCCCCCCC(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/C38H68N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(46)37(51)67-21-20-40-28(47)18-19-41-35(50)32(49)38(2,3)23-60-66(57,58)63-65(55,56)59-22-27-31(62-64(52,53)54)30(48)36(61-27)45-25-44-29-33(39)42-24-43-34(29)45/h24-27,30-32,36,46,48-49H,4-23H2,1-3H3,(H,40,47)(H,41,50)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/t26?,27-,30-,31-,32+,36-/m1/s1
InChIKeyUORNFJCSMDDBIC-FWWYCUMBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyheptadecanoyl-CoA (CHEBI:139022) has functional parent 2-hydroxyheptadecanoic acid (CHEBI:84854)
2-hydroxyheptadecanoyl-CoA (CHEBI:139022) is a hydroxy fatty acyl-CoA (CHEBI:61902)
2-hydroxyheptadecanoyl-CoA (CHEBI:139022) is a long-chain fatty acyl-CoA (CHEBI:33184)
2-hydroxyheptadecanoyl-CoA (CHEBI:139022) is conjugate acid of 2-hydroxyheptadecanoyl-CoA(4−) (CHEBI:138297)
Incoming Relation(s)
2-hydroxyheptadecanoyl-CoA(4−) (CHEBI:138297) is conjugate base of 2-hydroxyheptadecanoyl-CoA (CHEBI:139022)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxyheptadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
2-hydroxyheptadecanoyl-coenzyme AChEBI