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1-butanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM344105 Image of MNXM344105
referenceslm:000012625
formulaC32H58NO8P
global charge0
mol weight615.789
InChIKeyAYFRJRVCXLZECB-SFTUMWQNSA-N
InChIInChI=1S/C32H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-32(35)41-30(28-38-31(34)24-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h11-12,14-15,17-18,30H,6-10,13,16,19-29H2,1-5H3/b12-11-,15-14-,18-17-/t30-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C32H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-25-32(35)41-30(28-38-31(34)24-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h11-12,14-15,17-18,30H,6-10,13,16,19-29H2,1-5H3/b12-11-,15-14-,18-17-/t30-/m1/s1 Image of MNXM344105
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:9][CH2:10]/[CH:11]=[CH:12]\[CH2:13]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:25][C:32](=[O:35])[O:41][C@H:30]([CH2:28][O:38][C:31]([CH2:24][CH2:7][CH3:2])=[O:34])[CH2:29][O:40][P:42](=[O:36])([O-:37])[O:39][CH2:27][CH2:26][N+:33]([CH3:3])([CH3:4])[CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

SLM:000012625
slm:000012625
AYFRJRVCXLZECB-SFTUMWQNSA-N
1-butanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine
PC(4:0/20:3(8Z,11Z,14Z))
Phosphatidylcholine (4:0/20:3(8Z,11Z,14Z))