CHEBI:140683 - cis-11,12-methyleneoctadecanoyl-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-11,12-methyleneoctadecanoyl-CoA(4-)
ChEBI ID CHEBI:140683
Stars This entity has been manually annotated by a third party.
Submitter Michael Witting
Supplier Information
Download Molfile XML SDF
Formula C40H66N7O17P3S
Net Charge -4
Average Mass 1041.978
Monoisotopic Mass 1041.34707
InChI InChI=1S/C40H70N7O17P3S/c1-4-5-6-12-15-27-22-28(27)16-13-10-8-7-9-11-14-17-31(49)68-21-20-42-30(48)18-19-43-38(52)35(51)40(2,3)24-61-67(58,59)64-66(56,57)60-23-29-34(63-65(53,54)55)33(50)39(62-29)47-26-46-32-36(41)44-25-45-37(32)47/h25-29,33-35,39,50-51H,4-24H2,1-3H3,(H,42,48)(H,43,52)(H,56,57)(H,58,59)(H2,41,44,45)(H2,53,54,55)/p-4/t27?,28-,29-,33-,34-,35+,39-/m1/s1
InChIKey VDYGDLAYZYHVKO-BBAONULGSA-J
SMILES CCCCCCC1C[C@H]1CCCCCCCCCC(=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-11,12-methyleneoctadecanoyl-CoA(4-) (CHEBI:140683) is a organic molecular entity (CHEBI:50860)