CHEBI:185005 - CDP-DG(16:1(9Z)/18:2(9Z,12Z))

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ChEBI Name CDP-DG(16:1(9Z)/18:2(9Z,12Z))
ChEBI ID CHEBI:185005
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H79N3O15P2
Net Charge 0
Average Mass 976.092
Monoisotopic Mass 975.49864
InChI InChI=1S/C46H79N3O15P2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-42(51)62-38(35-59-41(50)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)36-60-65(55,56)64-66(57,58)61-37-39-43(52)44(53)45(63-39)49-34-33-40(47)48-46(49)54/h11,13-14,16-18,33-34,38-39,43-45,52-53H,3-10,12,15,19-32,35-37H2,1-2H3,(H,55,56)(H,57,58)(H2,47,48,54)/b13-11-,16-14-,18-17-/t38-,39-,43+,44?,45-/m1/s1
InChIKey GDJQPHRBQRPEMB-KBEDRONISA-N
SMILES P(OC[C@H]1O[C@@H](N2C=CC(=NC2=O)N)C(O)[C@H]1O)(OP(OC[C@H](OC(=O)CCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCC/C=C\CCCCCC)(O)=O)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study
Roles Classification
Biological Role(s): 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-DG(16:1(9Z)/18:2(9Z,12Z)) (CHEBI:185005) is a CDP-diacylglycerol (CHEBI:17962)
IUPAC Name
[(2R)-1-[[[(2R,3R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-3-[(Z)-hexadec-9-enoyl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate
Manual Xrefs Databases
74877690 ChemSpider
HMDB0115952 HMDB
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