CHEBI:185125 - PS(DIME(13,5)/DIME(11,5))

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PS(DIME(13,5)/DIME(11,5))
ChEBI ID CHEBI:185125
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H90NO12P
Net Charge 0
Average Mass 952.261
Monoisotopic Mass 951.62006
InChI InChI=1S/C52H90NO12P/c1-7-9-25-31-46-40(3)42(5)48(64-46)33-27-21-17-13-11-12-14-19-23-29-35-50(54)60-37-44(38-61-66(58,59)62-39-45(53)52(56)57)63-51(55)36-30-24-20-16-15-18-22-28-34-49-43(6)41(4)47(65-49)32-26-10-8-2/h44-45H,7-39,53H2,1-6H3,(H,56,57)(H,58,59)
InChIKey VPFVHYPUQNLVRM-UHFFFAOYSA-N
SMILES P(OCC(OC(=O)CCCCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(OCC(N)C(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
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via phosphatidyl-L-serine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PS(DIME(13,5)/DIME(11,5)) (CHEBI:185125) is a phosphatidyl-L-serine (CHEBI:18303)
IUPAC Name
2-amino-3-[[3-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]-2-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Manual Xrefs Databases
74849543 ChemSpider
HMDB0061571 HMDB
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