CHEBI:180851 - PC(MonoMe(13,5)/DiMe(13,5))

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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 PC(MonoMe(13,5)/DiMe(13,5))
ChEBI ID CHEBI:180851
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C55H99NO10P
Net Charge +1
Average Mass 965.367
Monoisotopic Mass 964.70011
InChI InChI=1S/C55H98NO10P/c1-9-11-29-35-49-43-46(3)51(64-49)36-31-25-21-17-13-15-19-23-27-33-39-54(57)61-44-50(45-63-67(59,60)62-42-41-56(6,7)8)65-55(58)40-34-28-24-20-16-14-18-22-26-32-38-53-48(5)47(4)52(66-53)37-30-12-10-2/h43,50H,9-42,44-45H2,1-8H3/p+1
InChIKey JPXWGKKIQVJFMS-UHFFFAOYSA-O
SMILES P(OCC[N+](C)(C)C)(OCC(OC(=O)CCCCCCCCCCCCC=1OC(=C(C1C)C)CCCCC)COC(=O)CCCCCCCCCCCCC=2OC(CCCCC)=CC2C)(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood serum (BTO:0000133).
ChEBI Ontology
Outgoing PC(MonoMe(13,5)/DiMe(13,5)) (CHEBI:180851) 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-[13-(3-methyl-5-pentyluran-2-yl)tridecanoyloxy]propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual Xref Database
HMDB0061455 HMDB
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