PSC

(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE



Chemical Component Summary

Name(7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE
SynonymsPHOSPHATIDYLCHOLINE; 2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE
Identifiers2-[[(2R)-3-hexadecanoyloxy-2-[(9Z)-octadeca-9,12-dienoyl]oxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-azanium
FormulaC42 H81 N O8 P
Molecular Weight759.068
TypeNON-POLYMER
Isomeric SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCCC
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/p+1/b16-14+,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-AUSZDXHESA-O

Chemical Details

Formal Charge1
Atom Count133
Chiral Atom Count2
Bond Count132
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 5289212