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CHEBI:85945 - 2-methylpentadec-2-enoyl-CoA

ChEBI IDCHEBI:85945
ChEBI Name2-methylpentadec-2-enoyl-CoA
Stars
DefinitionA 2-methylpentadecenoyl-CoA in which the double bond is located at position 2 (geochemistry not specified).
Last Modified5 February 2018
SubmitterBijay
DownloadsMolfile
FormulaC37H64N7O17P3S
Net Charge0
Average Mass1003.940
Monoisotopic Mass1003.32922
SMILESCCCCCCCCCCCCC=C(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/C37H64N7O17P3S/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/h16,23-24,26,29-31,35,46-47H,5-15,17-22H2,1-4H3,(H,39,45)(H,40,48)(H,53,54)(H,55,56)(H2,38,41,42)(H2,50,51,52)/t26-,29-,30-,31+,35-/m1/s1
InChIKeyWNGGEBDAVYDQDR-UOCZADIYSA-N
Roles Classification
Chemical Role:
acyl donor  Any donor that can transfer acyl groups between molecular entities.
ChEBI Ontology
Outgoing Relation(s)
2-methylpentadec-2-enoyl-CoA (CHEBI:85945) is a 2-methylpentadecenoyl-CoA (CHEBI:85944)
2-methylpentadec-2-enoyl-CoA (CHEBI:85945) is a alk-2-enoyl-CoA (CHEBI:15469)
2-methylpentadec-2-enoyl-CoA (CHEBI:85945) is a monounsaturated fatty acyl-CoA (CHEBI:139575)
IUPAC Name 
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(2-methylpentadec-2-enoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl] dihydrogen diphosphate}
Synonyms  Source
2-methyl-2,3-dehydropentadecenoyl-CoAChEBI
2-methyl-2-pentadecenoyl-CoAChEBI
2-methyl-2,3-dehydropentadecenoyl-coenzyme AChEBI
2-methyl-2-pentadecenoyl-coenzyme AChEBI
2-methylpentadec-2-enoyl-coenzyme AChEBI