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CHEBI:87181 - (2R)-2,6-dimethylheptanoyl-CoA

ChEBI IDCHEBI:87181
ChEBI Name(2R)-2,6-dimethylheptanoyl-CoA
Stars
ASCII Name(2R)-2,6-dimethylheptanoyl-CoA
DefinitionThe 2R stereoisomer of 2,6-dimethylheptanoyl-CoA.
Last Modified28 July 2015
SubmitterSteve
DownloadsMolfile
FormulaC30H52N7O17P3S
Net Charge0
Average Mass907.767
Monoisotopic Mass907.23532
SMILESCC(C)CCC[C@@H](C)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/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/t18-,19-,22-,23-,24+,28-/m1/s1
InChIKeyGPXWBKWDXPBLKS-NHZRKUKBSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2R)-2,6-dimethylheptanoyl-CoA (CHEBI:87181) is a 2,6-dimethylheptanoyl-CoA (CHEBI:85504)
(2R)-2,6-dimethylheptanoyl-CoA (CHEBI:87181) is conjugate acid of (2R)-2,6-dimethylheptanoyl-CoA(4−) (CHEBI:86982)
Incoming Relation(s)
(2R)-2,6-dimethylheptanoyl-CoA(4−) (CHEBI:86982) is conjugate base of (2R)-2,6-dimethylheptanoyl-CoA (CHEBI:87181)
Synonym  Source
(2R)-2,6-dimethylheptanoyl-coenzyme AChEBI