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CHEBI:77310 - (E)-2-methylpentadec-2-enoyl-CoA(4−)

ChEBI IDCHEBI:77310
ChEBI Name(E)-2-methylpentadec-2-enoyl-CoA(4−)
Stars
ASCII Name(E)-2-methylpentadec-2-enoyl-CoA(4-)
DefinitionA monounsaturated fatty acyl-CoA(4−) obtained by deprotonation of the phosphate and diphosphate OH groups of (E)-2-methylpentadec-2-enoyl-CoA; major species at pH 7.3.
Last Modified10 August 2015
SubmitterAnneNiknejad
DownloadsMolfile
FormulaC37H60N7O17P3S
Net Charge-4
Average Mass999.908
Monoisotopic Mass999.30012
SMILESCCCCCCCCCCCC/C=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)/p-4/b25-16+/t26-,29-,30-,31+,35-/m1/s1
InChIKeyWNGGEBDAVYDQDR-CKZWSVNZSA-J
ChEBI Ontology
Outgoing Relation(s)
(E)-2-methylpentadec-2-enoyl-CoA(4−) (CHEBI:77310) is a long-chain fatty acyl-CoA(4−) (CHEBI:83139)
(E)-2-methylpentadec-2-enoyl-CoA(4−) (CHEBI:77310) is a monounsaturated fatty acyl-CoA(4−) (CHEBI:77331)
(E)-2-methylpentadec-2-enoyl-CoA(4−) (CHEBI:77310) is conjugate base of (E)-2-methylpentadec-2-enoyl-CoA (CHEBI:87259)
Incoming Relation(s)
(E)-2-methylpentadec-2-enoyl-CoA (CHEBI:87259) is conjugate acid of (E)-2-methylpentadec-2-enoyl-CoA(4−) (CHEBI:77310)
Synonym  Source
(E)-2-methylpentadec-2-enoyl-coenzyme A(4−)ChEBI
UniProt Name  Source
2-methyl-(2E)-pentadecenoyl-CoAUniProt
Citations