CHEBI:172850 - PC(20:0/24:0)

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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(20:0/24:0)
ChEBI ID CHEBI:172850
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C52H104NO8P
Net Charge 0
Average Mass 902.377
Monoisotopic Mass 901.74996
InChI InChI=1S/C52H104NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-29-31-33-35-37-39-41-43-45-52(55)61-50(49-60-62(56,57)59-47-46-53(3,4)5)48-58-51(54)44-42-40-38-36-34-32-30-28-23-21-19-17-15-13-11-9-7-2/h50H,6-49H2,1-5H3/t50-/m1/s1
InChIKey YQWTVKDCKKUNAT-VCZQVZGSSA-N
SMILES P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
Bos taurus (NCBI:txid9913) Found in spermatozoon (FMA:67338). of strain Holstein-Friesian cattle [26105007] See: MetaboLights Study
ChEBI Ontology
Outgoing PC(20:0/24:0) (CHEBI:172850) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
[(2R)-3-icosanoyloxy-2-tetracosanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual Xrefs Databases
24766950 ChemSpider
HMDB0008289 HMDB
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