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

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ChEBI Name (2S)-2-methylpentadecanoyl-CoA
ChEBI ID CHEBI:77557
ChEBI ASCII Name (2S)-2-methylpentadecanoyl-CoA
Definition A (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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C37H66N7O17P3S
Net Charge 0
Average Mass 1005.94300
Monoisotopic Mass 1005.34488
InChI InChI=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
InChIKey FWYJQYHZZHUZRP-CQCJWWKRSA-N
SMILES CCCCCCCCCCCCC[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]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Roles Classification
Chemical Role(s): acyl donor
Any donor that can transfer acyl groups between molecular entities.
(via acyl-CoA )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 A ChEBI
Last Modified
31 March 2015