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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name cis-9,10-methylenehexadecanoyl-CoA(4-)
ChEBI ID CHEBI:140688
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C38H62N7O17P3S
Net Charge -4
Average Mass 1013.924
Monoisotopic Mass 1013.31577
InChI InChI=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
InChIKey BFNSTMZTKHJMAT-FEJRGTKPSA-J
SMILES CCCCCC[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]2O[C@H]([C@H](O)[C@@H]2OP([O-])([O-])=O)N3C=NC4=C(N)N=CN=C34
ChEBI Ontology
Outgoing cis-9,10-methylenehexadecanoyl-CoA(4-) (CHEBI:140688) is a organic molecular entity (CHEBI:50860)