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1-(11E-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phosphate

PropertiesImage
MNX_IDMNXM192290 Image of MNXM192290
referenceslm:000021077
formulaC41H77O8P
global charge-2
mol weight729.033
InChIKeyKKQSRWGIVVMUSV-IWJMQRATSA-L
InChIInChI=1S/C41H79O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38H2,1-2H3,(H2,44,45,46)/p-2/b16-14+/t39-/m1/s1
SMILESCCCCCC/C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C41H79O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h14,16,39H,3-13,15,17-38H2,1-2H3,(H2,44,45,46)/b16-14+/t39-/m1/s1 Image of MNXM192290
SMILES (mnx)[CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:20][CH2:22][CH2:24][CH2:26][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][C:41](=[O:43])[O:49][C@H:39]([CH2:37][O:47][C:40]([CH2:35][CH2:33][CH2:31][CH2:29][CH2:27][CH2:25][CH2:23][CH2:21][CH2:18]/[CH:16]=[CH:14]/[CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])=[O:42])[CH2:38][O:48][P:50]([OH:44])([OH:45])=[O:46]
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:000021077
slm:000021077
KKQSRWGIVVMUSV-IWJMQRATSA-L
1-(11E-octadecenoyl)-2-eicosanoyl-sn-glycero-3-phosphate
PA(18:1(11E)/20:0)
Phosphatidate (18:1(11E)/20:0)