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CHEBI:138297 - 2-hydroxyheptadecanoyl-CoA(4−)

ChEBI IDCHEBI:138297
ChEBI Name2-hydroxyheptadecanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyheptadecanoyl-CoA(4-)
DefinitionA fatty acyl-CoA(4−) arising from deprotonation of the phosphate and diphosphate functions of 2-hydroxyheptadecanoyl-CoA; major species at pH 7.3.
Last Modified10 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC38H64N7O18P3S
Net Charge-4
Average Mass1031.950
Monoisotopic Mass1031.32633
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)/p-4/t26?,27-,30-,31-,32+,36-/m1/s1
InChIKeyUORNFJCSMDDBIC-FWWYCUMBSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyheptadecanoyl-CoA(4−) (CHEBI:138297) is a 2-hydroxy-fatty acyl-CoA(4−) (CHEBI:157766)
2-hydroxyheptadecanoyl-CoA(4−) (CHEBI:138297) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxyheptadecanoyl-CoA(4−) (CHEBI:138297) is conjugate base of 2-hydroxyheptadecanoyl-CoA (CHEBI:139022)
Incoming Relation(s)
2-hydroxyheptadecanoyl-CoA (CHEBI:139022) is conjugate acid of 2-hydroxyheptadecanoyl-CoA(4−) (CHEBI:138297)
Synonym  Source
2-hydroxyheptadecanoyl-coenzyme A(4−)SUBMITTER
UniProt Name  Source
2-hydroxyheptadecanoyl-CoAUniProt
Citations