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1-(8Z,11Z,14Z,17Z,20Z-hexacosapentaenoyl)-2-tridecanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM300525 Image of MNXM300525
referenceslm:000024566
formulaC42H71O8P
global charge-2
mol weight734.996
InChIKeyARKDJNOIEMQGOI-NPINSCGMSA-L
InChIInChI=1S/C42H73O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-28-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,25-26,40H,3-10,12,14-15,18,21,24,27-39H2,1-2H3,(H2,45,46,47)/p-2/b13-11-,17-16-,20-19-,23-22-,26-25-/t40-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C42H73O8P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-28-14-12-10-8-6-4-2/h11,13,16-17,19-20,22-23,25-26,40H,3-10,12,14-15,18,21,24,27-39H2,1-2H3,(H2,45,46,47)/b13-11-,17-16-,20-19-,23-22-,26-25-/t40-/m1/s1 Image of MNXM300525
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9]/[CH:11]=[CH:13]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18]/[CH:19]=[CH:20]\[CH2:21]/[CH:22]=[CH:23]\[CH2:24]/[CH:25]=[CH:26]\[CH2:27][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:43])[O:48][CH2:38][C@H:40]([CH2:39][O:49][P:51]([OH:45])([OH:46])=[O:47])[O:50][C:42]([CH2:37][CH2:35][CH2:33][CH2:31][CH2:28][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:44]
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:000024566
slm:000024566
ARKDJNOIEMQGOI-NPINSCGMSA-L
1-(8Z,11Z,14Z,17Z,20Z-hexacosapentaenoyl)-2-tridecanoyl-sn-glycero-3-phosphate
PA(26:5(8Z,11Z,14Z,17Z,20Z)/13:0)
Phosphatidate (26:5(8Z,11Z,14Z,17Z,20Z)/13:0)