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CHEBI:77557 - (2S)-2-methylpentadecanoyl-CoA

ChEBI IDCHEBI:77557
ChEBI Name(2S)-2-methylpentadecanoyl-CoA
Stars
ASCII Name(2S)-2-methylpentadecanoyl-CoA
DefinitionA (2S)-2-methylacyl-CoA that results from the formal condensation of the thiol group of coenzyme A with the carboxy group of (2S)-2-methylpentadecanoic acid.
Last Modified31 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC37H66N7O17P3S
Net Charge0
Average Mass1005.956
Monoisotopic Mass1005.34487
SMILESCCCCCCCCCCCCC[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/C37H66N7O17P3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(2)36(49)65-20-19-39-27(45)17-18-40-34(48)31(47)37(3,4)22-58-64(55,56)61-63(53,54)57-21-26-30(60-62(50,51)52)29(46)35(59-26)44-24-43-28-32(38)41-23-42-33(28)44/h23-26,29-31,35,46-47H,5-22H2,1-4H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t25-,26+,29+,30+,31-,35+/m0/s1
InChIKeyFWYJQYHZZHUZRP-CQCJWWKRSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-methylpentadecanoyl-CoA (CHEBI:77557) is a (2S)-2-methylacyl-CoA (CHEBI:15451)
(2S)-2-methylpentadecanoyl-CoA (CHEBI:77557) is a 11,12-saturated fatty acyl-CoA (CHEBI:85348)
(2S)-2-methylpentadecanoyl-CoA (CHEBI:77557) is a long-chain fatty acyl-CoA (CHEBI:33184)
(2S)-2-methylpentadecanoyl-CoA (CHEBI:77557) is conjugate acid of (2S)-2-methylpentadecanoyl-CoA(4−) (CHEBI:77257)
Incoming Relation(s)
(2S)-2-methylpentadecanoyl-CoA(4−) (CHEBI:77257) is conjugate base of (2S)-2-methylpentadecanoyl-CoA (CHEBI:77557)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-({3-[(2-{[(2S)-2-methylpentadecanoyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-4-oxobutyl] dihydrogen diphosphate}
Synonym  Source
(2S)-2-methylpentadecanoyl-coenzyme AChEBI