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CHEBI:83577 - 2-carboxytetracosanoyl-CoA(5−)

ChEBI IDCHEBI:83577
ChEBI Name2-carboxytetracosanoyl-CoA(5−)
Stars
ASCII Name2-carboxytetracosanoyl-CoA(5-)
DefinitionThe pentaanion of 2-carboxytetracosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Last Modified30 January 2015
Submitternhn
DownloadsMolfile
FormulaC46H77N7O19P3S
Net Charge-5
Average Mass1157.141
Monoisotopic Mass1156.42352
SMILESCCCCCCCCCCCCCCCCCCCCCCC(C(=O)[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/C46H82N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33(44(58)59)45(60)76-28-27-48-35(54)25-26-49-42(57)39(56)46(2,3)30-69-75(66,67)72-74(64,65)68-29-34-38(71-73(61,62)63)37(55)43(70-34)53-32-52-36-40(47)50-31-51-41(36)53/h31-34,37-39,43,55-56H,4-30H2,1-3H3,(H,48,54)(H,49,57)(H,58,59)(H,64,65)(H,66,67)(H2,47,50,51)(H2,61,62,63)/p-5/t33?,34-,37-,38-,39+,43-/m1/s1
InChIKeyHFDIRCRWBDBZGJ-YPMIVOHTSA-I
ChEBI Ontology
Outgoing Relation(s)
2-carboxytetracosanoyl-CoA(5−) (CHEBI:83577) is a 2-carboxyacyl CoA(5−) (CHEBI:84128)
2-carboxytetracosanoyl-CoA(5−) (CHEBI:83577) is conjugate base of 2-carboxytetracosanoyl-CoA (CHEBI:84303)
Incoming Relation(s)
2-carboxytetracosanoyl-CoA (CHEBI:84303) is conjugate acid of 2-carboxytetracosanoyl-CoA(5−) (CHEBI:83577)
UniProt Name  Source
2-carboxytetracosanoyl-CoAUniProt