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CHEBI:140688 - cis-9,10-methylenehexadecanoyl-CoA(4-)

Default Structure
ChEBI IDCHEBI:140688
ChEBI Namecis-9,10-methylenehexadecanoyl-CoA(4-)
Stars
SubmitterMichael Witting
DownloadsMolfile
FormulaC38H62N7O17P3S
Net Charge-4
Average Mass1013.935
Monoisotopic Mass1013.31577
SMILESCCCCCC[C@H]1C[C@H]1CCCCCCCC(=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/C38H66N7O17P3S/c1-4-5-6-10-13-25-20-26(25)14-11-8-7-9-12-15-29(47)66-19-18-40-28(46)16-17-41-36(50)33(49)38(2,3)22-59-65(56,57)62-64(54,55)58-21-27-32(61-63(51,52)53)31(48)37(60-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-27,31-33,37,48-49H,4-22H2,1-3H3,(H,40,46)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/p-4/t25-,26+,27+,31+,32+,33-,37+/m0/s1
InChIKeyBFNSTMZTKHJMAT-FEJRGTKPSA-J
ChEBI Ontology
Outgoing Relation(s)
cis-9,10-methylenehexadecanoyl-CoA(4-) (CHEBI:140688) is a organic molecular entity (CHEBI:50860)