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1-(9Z,12Z,15Z-octadecatrienoyl)-2-octanoyl-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM321383 Image of MNXM321383
referenceslm:000012020
formulaC34H62NO8P
global charge0
mol weight643.843
InChIKeyUTSMRYCOTDGKKC-MMENMEKASA-N
InChIInChI=1S/C34H62NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-24-26-33(36)40-30-32(43-34(37)27-25-22-11-9-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h8,10,13-14,16-17,32H,6-7,9,11-12,15,18-31H2,1-5H3/b10-8-,14-13-,17-16-/t32-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
MNX internals
InChI (mnx)InChI=1/C34H62NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-24-26-33(36)40-30-32(43-34(37)27-25-22-11-9-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h8,10,13-14,16-17,32H,6-7,9,11-12,15,18-31H2,1-5H3/b10-8-,14-13-,17-16-/t32-/m1/s1 Image of MNXM321383
SMILES (mnx)[CH3:1][CH2:6]/[CH:8]=[CH:10]\[CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH2:23][CH2:24][CH2:26][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]([CH2:27][CH2:25][CH2:22][CH2:11][CH2:9][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:000012020
slm:000012020
UTSMRYCOTDGKKC-MMENMEKASA-N
1-(9Z,12Z,15Z-octadecatrienoyl)-2-octanoyl-sn-glycero-3-phosphocholine
PC(18:3(9Z,12Z,15Z)/8:0)
Phosphatidylcholine (18:3(9Z,12Z,15Z)/8:0)