CHEBI:184970 - [(2R)-2,3-bis[(22-methyltricosanoyl)oxy]propoxy]phosphonic acid

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ChEBI Name [(2R)-2,3-bis[(22-methyltricosanoyl)oxy]propoxy]phosphonic acid
ChEBI ID CHEBI:184970
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C51H101O8P
Net Charge 0
Average Mass 873.335
Monoisotopic Mass 872.72341
InChI InChI=1S/C51H101O8P/c1-47(2)41-37-33-29-25-21-17-13-9-5-7-11-15-19-23-27-31-35-39-43-50(52)57-45-49(46-58-60(54,55)56)59-51(53)44-40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-42-48(3)4/h47-49H,5-46H2,1-4H3,(H2,54,55,56)/t49-/m1/s1
InChIKey KDLORLVLUHSHGM-ANFMRNGASA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C)(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 phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2R)-2,3-bis[(22-methyltricosanoyl)oxy]propoxy]phosphonic acid (CHEBI:184970) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-(22-methyltricosanoyloxy)-3-phosphonooxypropyl] 22-methyltricosanoate
Manual Xrefs Databases
74877687 ChemSpider
HMDB0115949 HMDB
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