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1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-butanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM217813 Image of MNXM217813
referenceslm:000022021
formulaC35H59O8P
global charge-2
mol weight638.823
InChIKeyMBEIFVDVBGECFT-OAVAOETDSA-L
InChIInChI=1S/C35H61O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-34(36)41-31-33(32-42-44(38,39)40)43-35(37)29-4-2/h8-9,11-12,14-15,17-18,33H,3-7,10,13,16,19-32H2,1-2H3,(H2,38,39,40)/p-2/b9-8-,12-11-,15-14-,18-17-/t33-/m1/s1
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCC
MNX internals
InChI (mnx)InChI=1/C35H61O8P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-30-34(36)41-31-33(32-42-44(38,39)40)43-35(37)29-4-2/h8-9,11-12,14-15,17-18,33H,3-7,10,13,16,19-32H2,1-2H3,(H2,38,39,40)/b9-8-,12-11-,15-14-,18-17-/t33-/m1/s1 Image of MNXM217813
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:6][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][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][C:34](=[O:36])[O:41][CH2:31][C@H:33]([CH2:32][O:42][P:44]([OH:38])([OH:39])=[O:40])[O:43][C:35]([CH2:29][CH2:4][CH3:2])=[O:37]
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:000022021
slm:000022021
MBEIFVDVBGECFT-OAVAOETDSA-L
1-(13Z,16Z,19Z,22Z-octacosatetraenoyl)-2-butanoyl-sn-glycero-3-phosphate
PA(28:4(13Z,16Z,19Z,22Z)/4:0)
Phosphatidate (28:4(13Z,16Z,19Z,22Z)/4:0)