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CHEBI:134414 - 2-hydroxyhexacosanoyl-CoA(4−)

ChEBI IDCHEBI:134414
ChEBI Name2-hydroxyhexacosanoyl-CoA(4−)
Stars
ASCII Name2-hydroxyhexacosanoyl-CoA(4-)
DefinitionA fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate functions of 2-hydroxyhexacosanoyl-CoA; major species at pH 7.3.
Last Modified6 January 2020
Submitterlaimo
DownloadsMolfile
FormulaC47H82N7O18P3S
Net Charge-4
Average Mass1158.193
Monoisotopic Mass1157.46718
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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/C47H86N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-35(55)46(60)76-30-29-49-37(56)27-28-50-44(59)41(58)47(2,3)32-69-75(66,67)72-74(64,65)68-31-36-40(71-73(61,62)63)39(57)45(70-36)54-34-53-38-42(48)51-33-52-43(38)54/h33-36,39-41,45,55,57-58H,4-32H2,1-3H3,(H,49,56)(H,50,59)(H,64,65)(H,66,67)(H2,48,51,52)(H2,61,62,63)/p-4/t35?,36-,39-,40-,41+,45-/m1/s1
InChIKeyLVZUJAQAVMAPMT-RVNPWDOLSA-J
ChEBI Ontology
Outgoing Relation(s)
2-hydroxyhexacosanoyl-CoA(4−) (CHEBI:134414) is a 11,12-saturated fatty acyl-CoA(4−) (CHEBI:84948)
2-hydroxyhexacosanoyl-CoA(4−) (CHEBI:134414) is a fatty acyl-CoA(4−) (CHEBI:77636)
2-hydroxyhexacosanoyl-CoA(4−) (CHEBI:134414) is conjugate base of 2-hydroxyhexacosanoyl-CoA (CHEBI:136986)
Incoming Relation(s)
2-hydroxyhexacosanoyl-CoA (CHEBI:136986) is conjugate acid of 2-hydroxyhexacosanoyl-CoA(4−) (CHEBI:134414)
Synonyms  Source
2-hydroxy-hexacosanoyl-CoA(4−)SUBMITTER
2-OH-C26-CoA(4−)SUBMITTER
2-hydroxy-cerotoyl-CoA(4−)ChEBI
2-hydroxycerotoyl-CoA(4−)ChEBI
UniProt Name  Source
2-hydroxyhexacosanoyl-CoAUniProt