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1-(11-methyldodecanoyl)-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM185840 Image of MNXM185840
referenceslm:000021097
formulaC42H71O8P
global charge-2
mol weight734.996
InChIKeyQRWIABOPLVXUPH-ONPRMUJUSA-L
InChIInChI=1S/C42H73O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-42(44)50-40(38-49-51(45,46)47)37-48-41(43)35-32-29-27-24-25-28-31-34-39(2)3/h5-6,8-9,11-12,14-15,17-18,39-40H,4,7,10,13,16,19-38H2,1-3H3,(H2,45,46,47)/p-2/b6-5-,9-8-,12-11-,15-14-,18-17-/t40-/m1/s1
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC(C)C)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C42H73O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-30-33-36-42(44)50-40(38-49-51(45,46)47)37-48-41(43)35-32-29-27-24-25-28-31-34-39(2)3/h5-6,8-9,11-12,14-15,17-18,39-40H,4,7,10,13,16,19-38H2,1-3H3,(H2,45,46,47)/b6-5-,9-8-,12-11-,15-14-,18-17-/t40-/m1/s1 Image of MNXM185840
SMILES (mnx)[CH3:1][CH2:4]/[CH:5]=[CH:6]\[CH2:7]/[CH:8]=[CH: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][CH2:26][CH2:30][CH2:33][CH2:36][C:42](=[O:44])[O:50][C@H:40]([CH2:37][O:48][C:41]([CH2:35][CH2:32][CH2:29][CH2:27][CH2:24][CH2:25][CH2:28][CH2:31][CH2:34][CH:39]([CH3:2])[CH3:3])=[O:43])[CH2:38][O:49][P:51]([OH:45])([OH:46])=[O:47]
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:000021097
slm:000021097
QRWIABOPLVXUPH-ONPRMUJUSA-L
1-(11-methyldodecanoyl)-2-(11Z,14Z,17Z,20Z,23Z-hexacosapentaenoyl)-sn-glycero-3-phosphate
PA(13:0/26:5(11Z,14Z,17Z,20Z,23Z))
Phosphatidate (13:0/26:5(11Z,14Z,17Z,20Z,23Z))