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1-(15-methylhexadecanoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM228044 Image of MNXM228044
referenceslm:000022294
formulaC42H77O8P
global charge-2
mol weight741.044
InChIKeyRQCIWHSBIBAPDQ-ZZXFIYBUSA-L
InChIInChI=1S/C42H79O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-36-42(44)50-40(38-49-51(45,46)47)37-48-41(43)35-32-29-26-23-21-18-19-22-25-28-31-34-39(2)3/h8-9,11-12,39-40H,4-7,10,13-38H2,1-3H3,(H2,45,46,47)/p-2/b9-8-,12-11-/t40-/m1/s1
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC(C)C)COP(=O)([O-])[O-]
MNX internals
InChI (mnx)InChI=1/C42H79O8P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-27-30-33-36-42(44)50-40(38-49-51(45,46)47)37-48-41(43)35-32-29-26-23-21-18-19-22-25-28-31-34-39(2)3/h8-9,11-12,39-40H,4-7,10,13-38H2,1-3H3,(H2,45,46,47)/b9-8-,12-11-/t40-/m1/s1 Image of MNXM228044
SMILES (mnx)[CH3:1][CH2:4][CH2:5][CH2:6][CH2:7]/[CH:8]=[CH:9]\[CH2:10]/[CH:11]=[CH:12]\[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:20][CH2:24][CH2:27][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][CH2:26][CH2:23][CH2:21][CH2:18][CH2:19][CH2:22][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:000022294
slm:000022294
RQCIWHSBIBAPDQ-ZZXFIYBUSA-L
1-(15-methylhexadecanoyl)-2-(13Z,16Z-docosadienoyl)-sn-glycero-3-phosphate
PA(17:0/22:2(13Z,16Z))
Phosphatidate (17:0/22:2(13Z,16Z))