CHEBI:85838 - CDP-1-stearoyl-2-linoleoyl-sn-glycerol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name CDP-1-stearoyl-2-linoleoyl-sn-glycerol ChEBI ID CHEBI:85838 ChEBI ASCII Name CDP-1-stearoyl-2-linoleoyl-sn-glycerol Definition A CDP-diacylglycerol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and linoleoyl respectively. 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 C48H85N3O15P2 Net Charge 0 Average Mass 1006.14710 Monoisotopic Mass 1005.54559 InChI InChI=1S/C48H85N3O15P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(52)61-37-40(64-44(53)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-62-67(57,58)66-68(59,60)63-39-41-45(54)46(55)47(65-41)51-36-35-42(49)50-48(51)56/h12,14,18,20,35-36,40-41,45-47,54-55H,3-11,13,15-17,19,21-34,37-39H2,1-2H3,(H,57,58)(H,59,60)(H2,49,50,56)/b14-12-,20-18-/t40-,41-,45-,46-,47-/m1/s1 InChIKey SNJNNEXFHIDAJU-MIHVACCRSA-N SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(N)nc1=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC Roles Classification Biological Role(s): human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). 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 CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) has functional parent linoleic acid (CHEBI:17351) CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) has functional parent octadecanoic acid (CHEBI:28842) CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) has role human metabolite (CHEBI:77746) CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) is a CDP-diacylglycerol (CHEBI:17962) CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) is conjugate acid of CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352) Incoming CDP-1-stearoyl-2-linoleoyl-sn-glycerol(2−) (CHEBI:85352) is conjugate base of CDP-1-stearoyl-2-linoleoyl-sn-glycerol (CHEBI:85838) IUPAC Name 5'-O-[hydroxy({hydroxy[(2R)-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}-3-(octadecanoyloxy)propoxy]phosphoryl}oxy)phosphoryl]cytidine Synonyms Sources 1-Octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-CDP HMDB 1-octadecanoyl-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-cytidine-5ʼ-diphosphate ChEBI 1-Stearoyl-2-linoleoyl-sn-glycero-3-cytidine-5'-diphosphate HMDB CDP-DG(18:0/18:2(9Z,12Z)) HMDB CDP-DG(18:0/18:2) HMDB CDP-DG(18:0/18:2n6) HMDB CDP-DG(18:0/18:2w6) HMDB CDP-DG(36:2) HMDB CDP-Diacylglycerol(18:0/18:2) HMDB CDP-Diacylglycerol(18:0/18:2n6) HMDB CDP-Diacylglycerol(18:0/18:2w6) HMDB CDP-Diacylglycerol(36:2) HMDB Manual Xref Database HMDB0006981 HMDB View more database links Last Modified 22 May 2015