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CHEBI:77257 - (2S)-2-methylpentadecanoyl-CoA(4−)

ChEBI IDCHEBI:77257
ChEBI Name(2S)-2-methylpentadecanoyl-CoA(4−)
Stars
ASCII Name(2S)-2-methylpentadecanoyl-CoA(4-)
DefinitionAn acyl-CoA(4−) oxanion arising from deprotonation of the phosphate and diphosphate OH groups of (2S)-2-methylpentadecanoyl-CoA; major species at pH 7.3
Last Modified28 July 2021
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC37H62N7O17P3S
Net Charge-4
Average Mass1001.924
Monoisotopic Mass1001.31577
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)/p-4/t25-,26+,29+,30+,31-,35+/m0/s1
InChIKeyFWYJQYHZZHUZRP-CQCJWWKRSA-J
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-methylpentadecanoyl-CoA(4−) (CHEBI:77257) is a acyl-CoA(4−) (CHEBI:58342)
(2S)-2-methylpentadecanoyl-CoA(4−) (CHEBI:77257) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(2S)-2-methylpentadecanoyl-CoA(4−) (CHEBI:77257) is conjugate base of (2S)-2-methylpentadecanoyl-CoA (CHEBI:77557)
Incoming Relation(s)
(2S)-2-methylpentadecanoyl-CoA (CHEBI:77557) is conjugate acid of (2S)-2-methylpentadecanoyl-CoA(4−) (CHEBI:77257)
Synonym  Source
(2S)-2-methylpentadecanoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
(2S)-methylpentadecanoyl-CoAUniProt
Citations