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CHEBI:138211 - 1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:138211
ChEBI Name1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and pentanoyl respectively.
Last Modified24 October 2017
Submitterlaimo
DownloadsMolfile
FormulaC31H62NO8P
Net Charge0
Average Mass607.810
Monoisotopic Mass607.42130
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC
InChIInChI=1S/C31H62NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-22-24-30(33)37-27-29(40-31(34)23-9-7-2)28-39-41(35,36)38-26-25-32(3,4)5/h29H,6-28H2,1-5H3/t29-/m1/s1
InChIKeyMPCREWBYZXMEFD-GDLZYMKVSA-N
ChEBI Ontology
Outgoing Relation(s)
1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) has functional parent valeric acid (CHEBI:17418)
1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholine (CHEBI:138211) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-2-(pentanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:0/5:0)SUBMITTER
phosphatidylcholine (18:0/5:0)ChEBI
1-stearoyl-2-pentanoyl-sn-glycero-3-phosphocholineChEBI
1-stearoyl-2-valeryl-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1-octadecanoyl-2-pentanoyl-sn-glycero-3-phosphocholineUniProt
Registry NumbersSources
Reaxys:29225581Reaxys
Citations