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1-butanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine

PropertiesImage
MNX_IDMNXM343909 Image of MNXM343909
referenceslm:000012611
formulaC34H58NO8P
global charge0
mol weight639.811
InChIKeyDWLUMLOXTFGCAE-BSIIPXSTSA-N
InChIInChI=1S/C34H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-34(37)43-32(30-40-33(36)26-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h11-12,14-15,17-18,20-21,23-24,32H,6-10,13,16,19,22,25-31H2,1-5H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t32-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@H](COC(=O)CCC)COP(=O)([O-])OCC[N+](C)(C)C
MNX internals
InChI (mnx)InChI=1/C34H58NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-34(37)43-32(30-40-33(36)26-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h11-12,14-15,17-18,20-21,23-24,32H,6-10,13,16,19,22,25-31H2,1-5H3/b12-11-,15-14-,18-17-,21-20-,24-23-/t32-/m1/s1 Image of MNXM343909
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]/[CH:20]=[CH:21]\[CH2:22]/[CH:23]=[CH:24]\[CH2:25][CH2:27][C:34](=[O:37])[O:43][C@H:32]([CH2:30][O:40][C:33]([CH2:26][CH2:7][CH3:2])=[O:36])[CH2:31][O:42][P:44](=[O:38])([O-:39])[O:41][CH2:29][CH2:28][N+:35]([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:000012611
slm:000012611
DWLUMLOXTFGCAE-BSIIPXSTSA-N
1-butanoyl-2-(4Z,7Z,10Z,13Z,16Z-docosapentaenoyl)-sn-glycero-3-phosphocholine
PC(4:0/22:5(4Z,7Z,10Z,13Z,16Z))
Phosphatidylcholine (4:0/22:5(4Z,7Z,10Z,13Z,16Z))