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CHEBI:83578 - 2-carboxyhexacosanoyl-CoA(5−)

ChEBI IDCHEBI:83578
ChEBI Name2-carboxyhexacosanoyl-CoA(5−)
Stars
ASCII Name2-carboxyhexacosanoyl-CoA(5-)
DefinitionThe pentaanion of 2-carboxyhexacosanoyl-CoA arising from deprotonation of phosphate, diphosphate and carboxylic acid functions; major species at pH 7.3.
Last Modified15 January 2015
Submitternhn
DownloadsMolfile
FormulaC48H81N7O19P3S
Net Charge-5
Average Mass1185.195
Monoisotopic Mass1184.45482
SMILESCCCCCCCCCCCCCCCCCCCCCCCCC(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/C48H86N7O19P3S/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(46(60)61)47(62)78-30-29-50-37(56)27-28-51-44(59)41(58)48(2,3)32-71-77(68,69)74-76(66,67)70-31-36-40(73-75(63,64)65)39(57)45(72-36)55-34-54-38-42(49)52-33-53-43(38)55/h33-36,39-41,45,57-58H,4-32H2,1-3H3,(H,50,56)(H,51,59)(H,60,61)(H,66,67)(H,68,69)(H2,49,52,53)(H2,63,64,65)/p-5/t35?,36-,39-,40-,41+,45-/m1/s1
InChIKeyVUYDEKMWDHLSSI-RVNPWDOLSA-I
ChEBI Ontology
Outgoing Relation(s)
2-carboxyhexacosanoyl-CoA(5−) (CHEBI:83578) is a 2-carboxyacyl CoA(5−) (CHEBI:84128)
2-carboxyhexacosanoyl-CoA(5−) (CHEBI:83578) is conjugate base of 2-carboxyhexacosanoyl-CoA (CHEBI:84305)
Incoming Relation(s)
2-carboxyhexacosanoyl-CoA (CHEBI:84305) is conjugate acid of 2-carboxyhexacosanoyl-CoA(5−) (CHEBI:83578)
UniProt Name  Source
2-carboxyhexacosanoyl-CoAUniProt
Citations