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1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM345380 Image of MNXM345380
referenceslm:000012696
formulaC36H66NO8P
global charge0
mol weight671.897
InChIKeyDGBGWHPFAZOLPR-XBKJGXRUSA-N
InChIInChI=1S/C36H66NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-13-11-9-7-2/h14-15,17-18,20-21,34H,6-13,16,19,22-33H2,1-5H3/b15-14-,18-17-,21-20-/t34-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C36H66NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-23-25-27-29-36(39)45-34(33-44-46(40,41)43-31-30-37(3,4)5)32-42-35(38)28-26-24-22-13-11-9-7-2/h14-15,17-18,20-21,34H,6-13,16,19,22-33H2,1-5H3/b15-14-,18-17-,21-20-/t34-/m1/s1 Image of MNXM345380
SMILES (mnx)[CH3:1][CH2:6][CH2:8][CH2:10][CH2:12]/[CH:14]=[CH:15]\[CH2:16]/[CH:17]=[CH:18]\[CH2:19]/[CH:20]=[CH:21]\[CH2:23][CH2:25][CH2:27][CH2:29][C:36](=[O:39])[O:45][C@H:34]([CH2:32][O:42][C:35]([CH2:28][CH2:26][CH2:24][CH2:22][CH2:13][CH2:11][CH2:9][CH2:7][CH3:2])=[O:38])[CH2:33][O:44][P:46](=[O:40])([O-:41])[O:43][CH2:31][CH2:30][N+:37]([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:000012696
slm:000012696
DGBGWHPFAZOLPR-XBKJGXRUSA-N
1-decanoyl-2-(6Z,9Z,12Z-octadecatrienoyl)-sn-glycero-3-phosphocholine
PC(10:0/18:3(6Z,9Z,12Z))
Phosphatidylcholine (10:0/18:3(6Z,9Z,12Z))