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1-(10Z,13Z,16Z-docosatrienoyl)-2-butanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM184552 Image of MNXM184552
referenceslm:000007978
formulaC34H62NO8P
global charge0
mol weight643.843
InChIKeyKBLCNXFHQBECTQ-HOQSRBJISA-N
InChIInChI=1S/C34H62NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-33(36)40-30-32(43-34(37)26-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h11-12,14-15,17-18,32H,6-10,13,16,19-31H2,1-5H3/b12-11-,15-14-,18-17-/t32-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C34H62NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-33(36)40-30-32(43-34(37)26-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h11-12,14-15,17-18,32H,6-10,13,16,19-31H2,1-5H3/b12-11-,15-14-,18-17-/t32-/m1/s1 Image of MNXM184552
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][CH2:24][CH2:25][CH2:27][C:33](=[O:36])[O:40][CH2:30][C@H:32]([CH2:31][O:42][P:44](=[O:38])([O-:39])[O:41][CH2:29][CH2:28][N+:35]([CH3:3])([CH3:4])[CH3:5])[O:43][C:34]([CH2:26][CH2:7][CH3:2])=[O:37]
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:000007978
slm:000007978
KBLCNXFHQBECTQ-HOQSRBJISA-N
1-(10Z,13Z,16Z-docosatrienoyl)-2-butanoyl-sn-glycero-3-phosphocholine
PC(22:3(10Z,13Z,16Z)/4:0)
Phosphatidylcholine (22:3(10Z,13Z,16Z)/4:0)