CHEBI:194707 - 2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium

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ChEBI Name 2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium
ChEBI ID CHEBI:194707
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C20H41NO8P
Net Charge +1
Average Mass 454.520
Monoisotopic Mass 454.25643
InChI InChI=1S/C20H40NO8P/c1-6-8-10-12-19(22)26-16-18(29-20(23)13-11-9-7-2)17-28-30(24,25)27-15-14-21(3,4)5/h18H,6-17H2,1-5H3/p+1/t18-/m0/s1
InChIKey DVZARZBAWHITHR-SFHVURJKSA-O
SMILES P(OCC[N+](C)(C)C)(OC[C@@H](OC(=O)CCCCC)COC(=O)CCCCC)(O)=O
ChEBI Ontology
Outgoing 2-[2,3-Di(hexanoyloxy)propoxy-hydroxyphosphoryl]oxyethyl-trimethylazanium (CHEBI:194707) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
2-[[(2S)-2,3-di(hexanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Manual Xref Database
110627 ChemSpider
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