CHEBI:185023 - [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propoxy]phosphonic acid

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ChEBI Name [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propoxy]phosphonic acid
ChEBI ID CHEBI:185023
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C49H95O8P
Net Charge 0
Average Mass 843.265
Monoisotopic Mass 842.67646
InChI InChI=1S/C49H95O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46H2,1-2H3,(H2,52,53,54)/b20-18-/t47-/m1/s1
InChIKey CRZJHIATZSUGKD-KDNXRFBZSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
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-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propoxy]phosphonic acid (CHEBI:185023) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-phosphonooxypropyl] tetracosanoate
Manual Xrefs Databases
74877186 ChemSpider
HMDB0115447 HMDB
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