CHEBI:180896 - PC(DiMe(11,5)/DiMe(13,5))

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 PC(DiMe(11,5)/DiMe(13,5))
ChEBI ID CHEBI:180896
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C54H97NO10P
Net Charge +1
Average Mass 951.340
Monoisotopic Mass 950.68446
InChI InChI=1S/C54H96NO10P/c1-10-12-28-34-49-44(3)46(5)51(64-49)36-30-24-20-16-14-15-17-23-27-33-39-54(57)63-48(43-62-66(58,59)61-41-40-55(7,8)9)42-60-53(56)38-32-26-22-19-18-21-25-31-37-52-47(6)45(4)50(65-52)35-29-13-11-2/h48H,10-43H2,1-9H3/p+1
InChIKey SGOQUQDMDJKZFJ-UHFFFAOYSA-O
SMILES P(OCC[N+](C)(C)C)(OCC(OC(=O)CCCCCCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCC=2OC(=C(C2C)C)CCCCC)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133). See: MetaboLights Study
ChEBI Ontology
Outgoing PC(DiMe(11,5)/DiMe(13,5)) (CHEBI:180896) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
2-[[2-[13-(3,4-dimethyl-5-pentyluran-2-yl)tridecanoyloxy]-3-[11-(3,4-dimethyl-5-pentyluran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual Xref Database
HMDB0061401 HMDB
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