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1-(13-methyltetradecanoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM214397 Image of MNXM214397
referenceslm:000008841
formulaC39H74NO8P
global charge0
mol weight715.994
InChIKeyCZRSHGPSSNCMRL-UCDLHNCWSA-N
InChIInChI=1S/C39H74NO8P/c1-7-8-9-10-11-12-13-14-15-18-22-25-28-31-39(42)48-37(35-47-49(43,44)46-33-32-40(4,5)6)34-45-38(41)30-27-24-21-19-16-17-20-23-26-29-36(2)3/h9-10,12-13,36-37H,7-8,11,14-35H2,1-6H3/b10-9-,13-12-/t37-/m1/s1
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC(C)C)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C39H74NO8P/c1-7-8-9-10-11-12-13-14-15-18-22-25-28-31-39(42)48-37(35-47-49(43,44)46-33-32-40(4,5)6)34-45-38(41)30-27-24-21-19-16-17-20-23-26-29-36(2)3/h9-10,12-13,36-37H,7-8,11,14-35H2,1-6H3/b10-9-,13-12-/t37-/m1/s1 Image of MNXM214397
SMILES (mnx)[CH3:1][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:18][CH2:22][CH2:25][CH2:28][CH2:31][C:39](=[O:42])[O:48][C@H:37]([CH2:34][O:45][C:38]([CH2:30][CH2:27][CH2:24][CH2:21][CH2:19][CH2:16][CH2:17][CH2:20][CH2:23][CH2:26][CH2:29][CH:36]([CH3:2])[CH3:3])=[O:41])[CH2:35][O:47][P:49](=[O:43])([O-:44])[O:46][CH2:33][CH2:32][N+:40]([CH3:4])([CH3:5])[CH3:6]
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:000008841
slm:000008841
CZRSHGPSSNCMRL-UCDLHNCWSA-N
1-(13-methyltetradecanoyl)-2-(9Z,12Z-hexadecadienoyl)-sn-glycero-3-phosphocholine
PC(15:0/16:2(9Z,12Z))
Phosphatidylcholine (15:0/16:2(9Z,12Z))