CHEBI:104012 - 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate

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ChEBI Name 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate ChEBI ID CHEBI:104012 ChEBI ASCII Name 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate Definition A CDP-diacylglycerol in which the acyl groups at positions 1 and 2 are specified as hexadec-9-enoyl. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C44H77N3O15P2 Net Charge 0 Average Mass 950.043 Monoisotopic Mass 949.48299 InChI InChI=1S/C44H77N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-39(48)57-33-36(60-40(49)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-58-63(53,54)62-64(55,56)59-35-37-41(50)42(51)43(61-37)47-32-31-38(45)46-44(47)52/h13-16,31-32,36-37,41-43,50-51H,3-12,17-30,33-35H2,1-2H3,(H,53,54)(H,55,56)(H2,45,46,52)/t36-,37-,41-,42-,43-/m1/s1 InChIKey LBKBJHVQQNUXGQ-BQUKFSKHSA-N SMILES O(C[C@@H](COC(CCCCCCCC=CCCCCCC)=O)OC(CCCCCCCC=CCCCCCC)=O)P(OP(OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C(N=C(C=C2)N)=O)(=O)O)(=O)O Metabolite of Species Details Mycoplasma genitalium (NCBI:txid2097) See: PubMed Roles Classification Biological Role(s): Mycoplasma genitalium metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. Escherichia coli metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. (via CDP-diacylglycerol ) mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). (via CDP-diacylglycerol ) View more via ChEBI Ontology ChEBI Ontology Outgoing 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:104012) has role Mycoplasma genitalium metabolite (CHEBI:131604) 1,2-dihexadec-9-enoyl-sn-glycero-3-cytidine 5'-diphosphate (CHEBI:104012) is a CDP-diacylglycerol (CHEBI:17962) IUPAC Name 5'-O-[{[{(2R)-2,3-bis[(hexadec-9-enoyl)oxy]propoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine Synonyms Sources CDP-1,2-dihexadec-9-enoyl-sn-glycerol ChEBI CDP-1,2-dihexadec-9-enoylglycerol ChEBI CDP-DG(16:1/16:1) ChEBI Citation Type Source 22817898 PubMed citation Europe PMC Last Modified 05 April 2016